Chem
J-GLOBAL ID:200907049739602113   Nikkaji number:J586.368F

(3R,4E)-3-(Benzylamino)-5-phenyl-4-pentenoic acid (1R,2S,5R)-2β-methyl-5β-(α,α-dimethylbenzyl)cyclohexan-1β-yl ester

(1R,2S,5R)-2-メチル-5-(2-フェニルプロパン-2-イル)シクロヘキシル (3R,4E)-3-(ベンジルアミノ)-5-フェニルペンタ-4-エノアート
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: C34H41NO2
Molecular formula furigana: C34-H41-N-O2
Molecular weight: 495.707
InChI: InChI=1S/C34H41NO2/c1-26-19-21-30(34(2,3)29-17-11-6-12-18-29)23-32(26)37-33(36)24-31(22-20-27-13-7-4-8-14-27)35-25-28-15-9-5-10-16-28/h4-18,20,22,26,30-32,35H,19,21,23-25H2,1-3H3/b22-20+/t26-,30+,31-,32+/m0/s1
InChI key: IKGWRXZRUNRTEK-PJSYMAIFSA-N
SMILES: C[C@H]1CC[C@H](C[C@H]1OC(=O)C[C@@H](NCc1ccccc1)/C=C/c1ccccc1)C(C)(C)c1ccccc1
Systematic name  (3):
  • (3R,4E)-3-(ベンジルアミノ)-5-フェニル-4-ペンテン酸(1R,2S,5R)-2β-メチル-5β-(α,α-ジメチルベンジル)シクロヘキサン-1β-イル
  • (1R,2S,5R)-2-メチル-5-(2-フェニルプロパン-2-イル)シクロヘキシル (3R,4E)-3-(ベンジルアミノ)-5-フェニルペンタ-4-エノアート
  • (1R,2S,5R)-2-methyl-5-(2-phenylpropan-2-yl)cyclohexyl (3R,4E)-3-(benzylamino)-5-phenylpent-4-enoate
Other name (1):
  • (3R,4E)-3-(Benzylamino)-5-phenyl-4-pentenoic acid (1R,2S,5R)-2β-methyl-5β-(α,α-dimethylbenzyl)cyclohexan-1β-yl ester
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