[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 6-bromanyl-2-(4-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 6-bromanyl-2-(4-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-3,8-dimethyl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 6-bromo-2-(4-chlorophenyl)-3,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-3,8-dimethyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C33H25BrClNO4 MolecularWeight: 614.9129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)Cl)C)C(=O)OCC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H25BrClNO4/c1-20-16-25(34)17-28-30(21(2)32(36-31(20)28)24-8-12-26(35)13-9-24)33(38)40-19-29(37)23-10-14-27(15-11-23)39-18-22-6-4-3-5-7-22/h3-17H,18-19H2,1-2H3