[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C28H24ClNO3 MolecularWeight: 457.94806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C28H24ClNO3/c1-16-11-13-20(14-12-16)26-18(3)24(23-10-5-7-17(2)25(23)30-26)28(32)33-19(4)27(31)21-8-6-9-22(29)15-21/h5-15,19H,1-4H3