[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C29H28N2O3/c1-5-24-20(4)26(23-13-9-10-14-25(23)31-24)29(33)34-27(21-11-7-6-8-12-21)28(32)30-22-16-18(2)15-19(3)17-22/h6-17,27H,5H2,1-4H3,(H,30,32)