[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(3,5-dimethylphenyl)carbamoyl]propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-(3,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,5-dimethylanilino)-1-oxobutan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-[(3,5-dimethylphenyl)carbamoyl]propyl ester Formula: C30H30N2O4 MolecularWeight: 482.5702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O4/c1-6-25(28(33)31-22-16-19(3)15-20(4)17-22)36-30(35)27-26(21-13-11-18(2)12-14-21)23-9-7-8-10-24(23)29(34)32(27)5/h7-17,25H,6H2,1-5H3,(H,31,33)