[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 7,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 7,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 7,8-dimethyl-2-phenyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H20BrNO3/c1-16-8-13-21-22(26(30)31-15-24(29)19-9-11-20(27)12-10-19)14-23(28-25(21)17(16)2)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3