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

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(4-isopropylphenyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-(p-cumenylcarbamoyl)propyl ester Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O4/c1-5-25(28(33)31-22-17-15-20(16-18-22)19(2)3)36-30(35)27-26(21-11-7-6-8-12-21)23-13-9-10-14-24(23)29(34)32(27)4/h6-19,25H,5H2,1-4H3,(H,31,33)