Chem
J-GLOBAL ID:200907015728754556
Nikkaji number:J1.462.531C
4′-[[11-(Acryloyloxy)undecyl]oxy]-1,1′-biphenyl-4-carboxylic acid [(3R)-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
4′-[[11-(アクリロイルオキシ)ウンデシル]オキシ]-1,1′-ビフェニル-4-カルボン酸[(3R)-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
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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:
C55 H63 ClN2 O7
Molecular formula furigana:
C55-H63-CL-N2-O7
Molecular weight:
899.570
InChI:
InChI=1S/C55H63ClN2O7/c1-7-38(3)48(56)36-63-44-29-30-49-47(35-44)54(4,5)55(58(49)6)37-57-52-46-34-45(28-24-41(46)25-31-50(52)65-55)64-53(60)42-20-18-39(19-21-42)40-22-26-43(27-23-40)61-32-16-14-12-10-9-11-13-15-17-33-62-51(59)8-2/h8,18-31,34-35,37-38,48H,2,7,9-17,32-33,36H2,1,3-6H3/t38-,48+,55-/m0/s1
InChI key:
MDUPHGKFHTYDHU-DCZXIESRSA-N
SMILES:
CC[C@H](C)[C@H](Cl)COc1ccc2N(C)[C@@]3(Oc4ccc5ccc(OC(=O)c6ccc(cc6)c6ccc(OCCCCCCCCCCCOC(=O)C=C)cc6)cc5c4N=C3)C(C)(C)c2c1
Systematic name (3):
4′-[[11-(アクリロイルオキシ)ウンデシル]オキシ]-1,1′-ビフェニル-4-カルボン酸[(3R)-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
(2R)-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'-{[11-(プロパ-2-エノイルオキシ)ウンデシル]オキシ}-[1,1'-ビフェニル]-4-カルボキシラート
(2R)-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'-{[11-(prop-2-enoyloxy)undecyl]oxy}-[1,1'-biphenyl]-4-carboxylate
Other name (1):
4′-[[11-(Acryloyloxy)undecyl]oxy]-1,1′-biphenyl-4-carboxylic acid [(3R)-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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