[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(5-chloro-2-methyl-phenyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-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-[(5-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C28H25ClN2O4 MolecularWeight: 488.9621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN2O4/c1-4-23(26(32)30-22-16-19(29)15-14-17(22)2)35-28(34)25-24(18-10-6-5-7-11-18)20-12-8-9-13-21(20)27(33)31(25)3/h5-16,23H,4H2,1-3H3,(H,30,32)