[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-bromo-8-ethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-phenyl-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-bromo-8-ethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-phenyl-cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H21BrClNO3 MolecularWeight: 522.81754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H21BrClNO3/c1-3-17-12-20(28)14-22-23(15-24(30-25(17)22)18-8-5-4-6-9-18)27(32)33-16(2)26(31)19-10-7-11-21(29)13-19/h4-16H,3H2,1-2H3