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

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C27H22Cl2N2O6 MolecularWeight: 541.37938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H22Cl2N2O6/c1-34-23-10-15(11-24(35-2)26(23)36-3)22-13-18(17-6-4-5-7-21(17)31-22)27(33)37-14-25(32)30-16-8-9-19(28)20(29)12-16/h4-13H,14H2,1-3H3,(H,30,32)