[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C28H26N2O6/c1-17-9-11-18(12-10-17)23-15-21(20-7-5-6-8-22(20)30-23)28(32)36-16-26(31)29-19-13-24(33-2)27(35-4)25(14-19)34-3/h5-15H,16H2,1-4H3,(H,29,31)