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

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxoethyl] 7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-7-chloro-8-methyl-cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C39H27BrClNO6 MolecularWeight: 720.99178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OCC6=CC=CC=C6)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OCC6=CC=CC=C6)Cl

InChI

InChI=1S/C39H27BrClNO6/c1-24-34(41)20-19-32-33(21-35(42-37(24)32)26-9-15-30(16-10-26)46-22-25-5-3-2-4-6-25)39(45)47-23-36(43)27-11-17-31(18-12-27)48-38(44)28-7-13-29(40)14-8-28/h2-21H,22-23H2,1H3