Chem
J-GLOBAL ID:200907028110469316   Nikkaji number:J2.677.423C

(3S)-2-(4-Methylphenyl)-3α-methoxy-5-oxo-6-oxylato-7aα-phenyl-1,2,5,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazole-7-carboxylic acid methyl ester

(3S)-2-(4-メチルフェニル)-3α-メトキシ-5-オキソ-6-オキシラト-7aα-フェニル-1,2,5,7a-テトラヒドロ-3H-ピロロ[1,2-c]イミダゾール-7-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: C22H21N2O4[O-]
Molecular formula furigana: C22-H21-N2-O5
Molecular weight: 393.420
InChI: InChI=1S/C22H22N2O5/c1-14-9-11-16(12-10-14)23-13-22(15-7-5-4-6-8-15)17(20(27)28-2)18(25)19(26)24(22)21(23)29-3/h4-12,21,25H,13H2,1-3H3/p-1/t21-,22-/m0/s1
InChI key: HQZSWHLLVBGQDA-VXKWHMMOSA-M
SMILES: CO[C@H]1N(C[C@]2(N1C(=O)C(=C2C(=O)OC)[O-])c1ccccc1)c1ccc(C)cc1
Systematic name  (3):
  • (3S)-2-(4-メチルフェニル)-3α-メトキシ-5-オキソ-6-オキシラト-7aα-フェニル-1,2,5,7a-テトラヒドロ-3H-ピロロ[1,2-c]イミダゾール-7-カルボン酸メチル
  • (3S,7aS)-3-メトキシ-7-(メトキシカルボニル)-2-(4-メチルフェニル)-5-オキソ-7a-フェニル-1H,2H,3H,5H,7aH-ピロロ[1,2-c]イミダゾール-6-オラート
  • (3S,7aS)-3-methoxy-7-(methoxycarbonyl)-2-(4-methylphenyl)-5-oxo-7a-phenyl-1H,2H,3H,5H,7aH-pyrrolo[1,2-c]imidazol-6-olate
Other name (1):
  • (3S)-2-(4-Methylphenyl)-3α-methoxy-5-oxo-6-oxylato-7aα-phenyl-1,2,5,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazole-7-carboxylic acid methyl ester
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