Chem
J-GLOBAL ID:201207017295386407
Nikkaji number:J3.008.569H
(1S,4R)-3α-Formyl-7-allyl-8-azabicyclo[2.2.2]octane-5-ene-8-carboxylic acid phenyl ester
(1S,4R)-3α-ホルミル-7-アリル-8-アザビシクロ[2.2.2]オクタン-5-エン-8-カルボン酸フェニル
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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:
C18 H19 NO3
Molecular formula furigana:
C18-H19-N-O3
Molecular weight:
297.354
InChI:
InChI=1S/C18H19NO3/c1-2-6-16-13-9-10-17(14(11-13)12-20)19(16)18(21)22-15-7-4-3-5-8-15/h2-5,7-10,12-14,16-17H,1,6,11H2/t13-,14-,16?,17-/m1/s1
InChI key:
XKXCPXKIDWJDSI-DQZYOXILSA-N
SMILES:
C=CCC1[C@H]2C[C@H](C=O)[C@@H](C=C2)N1C(=O)Oc1ccccc1
Systematic name (3):
(1S,4R)-3α-ホルミル-7-アリル-8-アザビシクロ[2.2.2]オクタン-5-エン-8-カルボン酸フェニル
フェニル (1R,4S,7S)-7-ホルミル-3-(プロパ-2-エン-1-イル)-2-アザビシクロ[2.2.2]オクタ-5-エン-2-カルボキシラート
phenyl (1R,4S,7S)-7-formyl-3-(prop-2-en-1-yl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Other name (1):
(1S,4R)-3α-Formyl-7-allyl-8-azabicyclo[2.2.2]octane-5-ene-8-carboxylic acid phenyl ester
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