[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C)C)C

InChI

InChI=1S/C23H26N2O6/c1-5-30-23(29)21-14(3)24-13(2)20(21)19(27)12-31-22(28)18-10-16-8-6-7-9-17(16)11-25(18)15(4)26/h6-9,18,24H,5,10-12H2,1-4H3