[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 6-bromo-7-chloro-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C34H27BrClNO4 MolecularWeight: 628.93948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C(=C2N=C1C3=CC=CC=C3)C)Cl)Br)C(=O)OC(C)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C(=C2N=C1C3=CC=CC=C3)C)Cl)Br)C(=O)OC(C)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H27BrClNO4/c1-20-29(27-18-28(35)30(36)21(2)32(27)37-31(20)24-12-8-5-9-13-24)34(39)41-22(3)33(38)25-14-16-26(17-15-25)40-19-23-10-6-4-7-11-23/h4-18,22H,19H2,1-3H3