[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3/c1-17-12-13-18(2)23(14-17)28-25(29)16-31-26(30)21-15-24(19-8-4-3-5-9-19)27-22-11-7-6-10-20(21)22/h3-15H,16H2,1-2H3,(H,28,29)