[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H18N2O4/c1-13-6-2-3-8-15(13)11-21-18(23)12-26-20(25)17-10-14-7-4-5-9-16(14)19(24)22-17/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)