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

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-ethyl-3-methyl-2-phenyl-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(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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