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

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O6/c1-16(27(33)30-19-11-8-17(9-12-19)26(29)32)37-28(34)21-15-23(31-22-7-5-4-6-20(21)22)18-10-13-24(35-2)25(14-18)36-3/h4-16H,1-3H3,(H2,29,32)(H,30,33)