[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H23ClN2O5 MolecularWeight: 490.93492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H23ClN2O5/c1-16(26(31)29-19-8-6-7-18(28)14-19)35-27(32)21-15-23(30-22-10-5-4-9-20(21)22)17-11-12-24(33-2)25(13-17)34-3/h4-16H,1-3H3,(H,29,31)