Chem
J-GLOBAL ID:200907025208542772
Nikkaji number:J1.462.535F
4′-[[(2R)-2-Methyl-3-(acryloyloxy)propyl]oxy]-1,1′-biphenyl-4-carboxylic acid [(3S)-1′,3′,3′-trimethyl-5′-[[(2S,3S)-2-chloro-3-methylpentyl]oxy]spiro[3H-naphtho[2,1-b][1,4]oxazine-3,2′(3′H)-[1H]indole]]-9-yl ester
(2S)-5-{[(2S,3S)-2-クロロ-3-メチルペンチル]オキシ}-1,3,3-トリメチル-1,3-ジヒドロスピロ[インドール-2,3'-ナフト[2,1-b][1,4]オキサジン]-9'-イル 4'-[(2R)-2-メチル-3-(プロパ-2-エノイルオキシ)プロポキシ]-[1,1'-ビフェニル]-4-カルボキシラート
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C48 H49 ClN2 O7
Molecular formula furigana:
C48-H49-CL-N2-O7
Molecular weight:
801.380
InChI:
InChI=1S/C48H49ClN2O7/c1-8-31(4)41(49)28-55-37-21-22-42-40(25-37)47(5,6)48(51(42)7)29-50-45-39-24-38(20-16-34(39)17-23-43(45)58-48)57-46(53)35-12-10-32(11-13-35)33-14-18-36(19-15-33)54-26-30(3)27-56-44(52)9-2/h9-25,29-31,41H,2,8,26-28H2,1,3-7H3/t30-,31+,41-,48-/m1/s1
InChI key:
RFJDLIADYMBTEB-OUUQBGEESA-N
SMILES:
CC[C@H](C)[C@H](Cl)COc1ccc2N(C)[C@]3(Oc4ccc5ccc(OC(=O)c6ccc(cc6)c6ccc(OC[C@@H](C)COC(=O)C=C)cc6)cc5c4N=C3)C(C)(C)c2c1
Systematic name (3):
4′-[[(2R)-2-メチル-3-(アクリロイルオキシ)プロピル]オキシ]-1,1′-ビフェニル-4-カルボン酸[(3S)-1′,3′,3′-トリメチル-5′-[[(2S,3S)-2-クロロ-3-メチルペンチル]オキシ]スピロ[3H-ナフト[2,1-b][1,4]オキサジン-3,2′(3′H)-[1H]インドール]]-9-イル
(2S)-5-{[(2S,3S)-2-クロロ-3-メチルペンチル]オキシ}-1,3,3-トリメチル-1,3-ジヒドロスピロ[インドール-2,3'-ナフト[2,1-b][1,4]オキサジン]-9'-イル 4'-[(2R)-2-メチル-3-(プロパ-2-エノイルオキシ)プロポキシ]-[1,1'-ビフェニル]-4-カルボキシラート
(2S)-5-{[(2S,3S)-2-chloro-3-methylpentyl]oxy}-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazin]-9'-yl 4'-[(2R)-2-methyl-3-(prop-2-enoyloxy)propoxy]-[1,1'-biphenyl]-4-carboxylate
Other name (1):
4′-[[(2R)-2-Methyl-3-(acryloyloxy)propyl]oxy]-1,1′-biphenyl-4-carboxylic acid [(3S)-1′,3′,3′-trimethyl-5′-[[(2S,3S)-2-chloro-3-methylpentyl]oxy]spiro[3H-naphtho[2,1-b][1,4]oxazine-3,2′(3′H)-[1H]indole]]-9-yl ester
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