[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-ethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-ethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H24ClNO3/c1-4-19-10-13-25-23(14-19)24(16-26(30-25)20-11-8-17(2)9-12-20)28(32)33-18(3)27(31)21-6-5-7-22(29)15-21/h5-16,18H,4H2,1-3H3