[2-[4-(4-chlorophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-chlorobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-chlorophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-cinchoninic acid [2-[4-(4-chlorobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C38H25BrClNO6 MolecularWeight: 706.9652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C38H25BrClNO6/c39-28-12-19-34-32(20-28)33(21-35(41-34)25-8-15-30(16-9-25)45-22-24-4-2-1-3-5-24)38(44)46-23-36(42)26-10-17-31(18-11-26)47-37(43)27-6-13-29(40)14-7-27/h1-21H,22-23H2