[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichloroanilino)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-(2,4-dichloroanilino)-2-keto-ethyl] ester Formula: C25H18Cl2N2O4 MolecularWeight: 481.32742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H18Cl2N2O4/c1-32-17-9-6-15(7-10-17)23-13-19(18-4-2-3-5-21(18)28-23)25(31)33-14-24(30)29-22-11-8-16(26)12-20(22)27/h2-13H,14H2,1H3,(H,29,30)