[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C26H19BrClNO3 MolecularWeight: 508.79096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H19BrClNO3/c1-15-3-5-17(6-4-15)23-13-21(20-11-12-22(28)16(2)25(20)29-23)26(31)32-14-24(30)18-7-9-19(27)10-8-18/h3-13H,14H2,1-2H3