[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H20N2O4/c1-13-7-9-15(10-8-13)12-22-19(24)14(2)27-21(26)18-11-16-5-3-4-6-17(16)20(25)23-18/h3-11,14H,12H2,1-2H3,(H,22,24)(H,23,25)/t14-/m1/s1