[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4/c1-28(17-19-11-5-3-6-12-19)23(30)18-33-27(32)25-24(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26(31)29(25)2/h3-16H,17-18H2,1-2H3