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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-bromo-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-(4-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-3-methyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C26H19BrClNO3 MolecularWeight: 508.79096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OC(C)C(=O)C3=CC=CC=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OC(C)C(=O)C3=CC=CC=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H19BrClNO3/c1-15-23(26(31)32-16(2)25(30)18-6-4-3-5-7-18)21-14-19(27)10-13-22(21)29-24(15)17-8-11-20(28)12-9-17/h3-14,16H,1-2H3