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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C31H32N2O3/c1-5-12-26-24(6-2)28(25-15-10-11-16-27(25)33-26)31(35)36-29(22-13-8-7-9-14-22)30(34)32-23-18-20(3)17-21(4)19-23/h7-11,13-19,29H,5-6,12H2,1-4H3,(H,32,34)