methyl 2-(2-phenyl-2-pyrrol-1-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(2-phenyl-2-pyrrol-1-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(2-phenyl-2-pyrrol-1-yl-acetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[1-oxo-2-phenyl-2-(1-pyrrolyl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-phenyl-2-pyrrol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(2-phenyl-2-pyrrol-1-yl-acetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C(C3=CC=CC=C3)N4C=CC=C4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C(C3=CC=CC=C3)N4C=CC=C4)C=C1

InChI

InChI=1S/C23H22N2O3/c1-28-23(27)19-10-9-17-11-14-25(16-20(17)15-19)22(26)21(24-12-5-6-13-24)18-7-3-2-4-8-18/h2-10,12-13,15,21H,11,14,16H2,1H3