[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-8-methyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClNO3/c1-3-18-7-9-19(10-8-18)24-15-23(22-6-4-5-17(2)26(22)29-24)27(31)32-16-25(30)20-11-13-21(28)14-12-20/h4-15H,3,16H2,1-2H3