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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C34H30N2O4 MolecularWeight: 530.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C)C

InChI

InChI=1S/C34H30N2O4/c1-22-13-16-27(19-23(22)2)35-31(37)21-40-34(38)32-24(3)33(36-30-12-8-7-11-29(30)32)26-14-17-28(18-15-26)39-20-25-9-5-4-6-10-25/h4-19H,20-21H2,1-3H3,(H,35,37)