[1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(3-chlorophenyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-(3-chloroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-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-[(3-chlorophenyl)carbamoyl]propyl ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN2O4/c1-3-22(25(31)29-19-13-9-12-18(28)16-19)34-27(33)24-23(17-10-5-4-6-11-17)20-14-7-8-15-21(20)26(32)30(24)2/h4-16,22H,3H2,1-2H3,(H,29,31)