[2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-chloro-3-methyl-quinoline-4-carboxylate CAS Name: 6-chloro-3-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] 6-chloro-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-chloro-3-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(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

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