[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-chloranyl-2-(3-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-chloranyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-chloro-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-chloro-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-chloro-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-chloro-2-(3-methoxyphenyl)cinchoninic acid [2-keto-1-methyl-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)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)OC

InChI

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