[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C26H19ClN4O5 MolecularWeight: 502.90586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)OCC(=O)NC4=CC(=CC(=C4)C(=O)N)C(=O)N

InChI

InChI=1S/C26H19ClN4O5/c27-20-7-3-1-6-18(20)22-12-19(17-5-2-4-8-21(17)31-22)26(35)36-13-23(32)30-16-10-14(24(28)33)9-15(11-16)25(29)34/h1-12H,13H2,(H2,28,33)(H2,29,34)(H,30,32)