methyl 2-(2-pyrrol-1-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(2-pyrrol-1-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(2-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(2-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C22H20N2O3/c1-27-22(26)18-9-6-7-16-15-24(14-11-17(16)18)21(25)19-8-2-3-10-20(19)23-12-4-5-13-23/h2-10,12-13H,11,14-15H2,1H3