(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-(phenylcarbamoyl)propyl ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4/c1-3-22(25(30)28-19-14-8-5-9-15-19)33-27(32)24-23(18-12-6-4-7-13-18)20-16-10-11-17-21(20)26(31)29(24)2/h4-17,22H,3H2,1-2H3,(H,28,30)