Chem
J-GLOBAL ID:200907041676952088   Nikkaji number:J2.663.712K

2-(Dimethylamino)-2-[4-(tert-butoxycarbonyl)benzyl]-4-pentenoic acid (1β)-2α-(1-phenylethyl)-5β-methylcyclohexyl ester

2-(ジメチルアミノ)-2-[4-(tert-ブトキシカルボニル)ベンジル]-4-ペンテン酸(1β)-2α-(1-フェニルエチル)-5β-メチルシクロヘキシル
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: C34H47NO4
Molecular formula furigana: C34-H47-N-O4
Molecular weight: 533.753
InChI: InChI=1S/C34H47NO4/c1-9-21-34(35(7)8,23-26-16-18-28(19-17-26)31(36)39-33(4,5)6)32(37)38-30-22-24(2)15-20-29(30)25(3)27-13-11-10-12-14-27/h9-14,16-19,24-25,29-30H,1,15,20-23H2,2-8H3/t24-,25?,29+,30-,34?/m1/s1
InChI key: PVDPAKGFWKJMNN-MWZLLZTLSA-N
SMILES: CC([C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(CC=C)(Cc1ccc(cc1)C(=O)OC(C)(C)C)N(C)C)c1ccccc1
Systematic name  (3):
  • 2-(ジメチルアミノ)-2-[4-(tert-ブトキシカルボニル)ベンジル]-4-ペンテン酸(1β)-2α-(1-フェニルエチル)-5β-メチルシクロヘキシル
  • tert-ブチル 4-[2-(ジメチルアミノ)-3-{[(1R,2S,5R)-5-メチル-2-(1-フェニルエチル)シクロヘキシル]オキシ}-3-オキソ-2-(プロパ-2-エン-1-イル)プロピル]ベンゾアート
  • tert-butyl 4-[2-(dimethylamino)-3-{[(1R,2S,5R)-5-methyl-2-(1-phenylethyl)cyclohexyl]oxy}-3-oxo-2-(prop-2-en-1-yl)propyl]benzoate
Other name (1):
  • 2-(Dimethylamino)-2-[4-(tert-butoxycarbonyl)benzyl]-4-pentenoic acid (1β)-2α-(1-phenylethyl)-5β-methylcyclohexyl ester
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