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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 6-chloro-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-chloro-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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