[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 7-chloro-3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 7-chloro-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] 7-chloro-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 7-chloro-3,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C28H23Cl2NO3 MolecularWeight: 492.39312

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H23Cl2NO3/c1-15-8-10-19(11-9-15)25-17(3)24(22-12-13-23(30)16(2)26(22)31-25)28(33)34-18(4)27(32)20-6-5-7-21(29)14-20/h5-14,18H,1-4H3