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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzoyloxyphenyl)-2-oxo-ethyl] 7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-benzoyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzoyloxyphenyl)-2-oxoethyl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-(4-benzoyloxyphenyl)-2-keto-ethyl] ester Formula: C33H24ClNO5 MolecularWeight: 550.00036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H24ClNO5/c1-20-8-10-22(11-9-20)29-18-27(26-16-17-28(34)21(2)31(26)35-29)33(38)39-19-30(36)23-12-14-25(15-13-23)40-32(37)24-6-4-3-5-7-24/h3-18H,19H2,1-2H3