[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C25H17BrClNO3 MolecularWeight: 494.76438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H17BrClNO3/c1-15-2-4-16(5-3-15)23-13-21(20-12-18(26)8-11-22(20)28-23)25(30)31-14-24(29)17-6-9-19(27)10-7-17/h2-13H,14H2,1H3