[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-7-chloro-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C27H21BrClNO3 MolecularWeight: 522.81754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=C(C(=C(C=C23)Br)Cl)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=C(C(=C(C=C23)Br)Cl)C)C4=CC=CC=C4)C

InChI

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