Chem
J-GLOBAL ID:200907026529355857   Nikkaji number:J1.128.310A

1β-(3,4,5-Trimethoxyphenyl)-2-benzyl-1,2,3,4-tetrahydro-β-carboline-3α-carboxylic acid methyl ester

1β-(3,4,5-トリメトキシフェニル)-2-ベンジル-1,2,3,4-テトラヒドロ-β-カルボリン-3α-カルボン酸メチル
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: C29H30N2O5
Molecular formula furigana: C29-H30-N2-O5
Molecular weight: 486.568
InChI: InChI=1S/C29H30N2O5/c1-33-24-14-19(15-25(34-2)28(24)35-3)27-26-21(20-12-8-9-13-22(20)30-26)16-23(29(32)36-4)31(27)17-18-10-6-5-7-11-18/h5-15,23,27,30H,16-17H2,1-4H3/t23-,27+/m0/s1
InChI key: STYZMMAQNJVHCT-WNCULLNHSA-N
SMILES: COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1
Systematic name  (4):
  • 1β-(3,4,5-トリメトキシフェニル)-2-ベンジル-1,2,3,4-テトラヒドロ-β-カルボリン-3α-カルボン酸メチル
  • (1R)-1β-(3,4,5-トリメトキシフェニル)-2-ベンジル-1,2,3,4-テトラヒドロ-9H-ピリド[3,4-b]インドール-3α-カルボン酸メチル
  • メチル (1R,3S)-2-ベンジル-1-(3,4,5-トリメトキシフェニル)-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-3-カルボキシラート
  • methyl (1R,3S)-2-benzyl-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
Other name (2):
  • 1β-(3,4,5-Trimethoxyphenyl)-2-benzyl-1,2,3,4-tetrahydro-β-carboline-3α-carboxylic acid methyl ester
  • (1R)-1β-(3,4,5-Trimethoxyphenyl)-2-benzyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3α-carboxylic acid methyl ester
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