[4-(4-methylphenoxy)-4-oxidanylidene-butyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [4-(4-methylphenoxy)-4-oxidanylidene-butyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [4-(4-methylphenoxy)-4-oxo-butyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [4-(4-methylphenoxy)-4-oxobutyl] ester IUPAC Name: [4-(4-methylphenoxy)-4-oxobutyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [4-keto-4-(4-methylphenoxy)butyl] ester Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClNO4/c1-18-8-14-21(15-9-18)33-26(30)7-4-16-32-27(31)23-17-25(19-10-12-20(28)13-11-19)29-24-6-3-2-5-22(23)24/h2-3,5-6,8-15,17H,4,7,16H2,1H3