[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-6-methyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C32H28N2O3 MolecularWeight: 488.57632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=CC=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=CC=C5C)C

InChI

InChI=1S/C32H28N2O3/c1-20-5-10-25(11-6-20)31(35)19-37-32(36)28-18-30(33-29-16-7-21(2)17-27(28)29)24-12-14-26(15-13-24)34-22(3)8-9-23(34)4/h5-18H,19H2,1-4H3