[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phenylphenyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C31H22BrNO3 MolecularWeight: 536.41528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H22BrNO3/c1-20-7-16-28-26(17-20)27(31(35)36-19-30(34)24-12-14-25(32)15-13-24)18-29(33-28)23-10-8-22(9-11-23)21-5-3-2-4-6-21/h2-18H,19H2,1H3