[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 7-chloro-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H22ClNO4/c1-16-7-9-18(10-8-16)25(30)15-33-27(31)22-14-24(19-5-4-6-20(13-19)32-3)29-26-17(2)23(28)12-11-21(22)26/h4-14H,15H2,1-3H3