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

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 7-chloro-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-[4-[(4-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxoethyl] 7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(4-ethylphenyl)-8-methyl-cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C34H25BrClNO5 MolecularWeight: 642.923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C34H25BrClNO5/c1-3-21-4-6-22(7-5-21)30-18-28(27-16-17-29(36)20(2)32(27)37-30)34(40)41-19-31(38)23-10-14-26(15-11-23)42-33(39)24-8-12-25(35)13-9-24/h4-18H,3,19H2,1-2H3