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

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 6-bromanyl-7-chloranyl-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 6-bromo-7-chloro-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-(4-methoxyphenyl)-3,8-dimethyl-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-2-(4-methoxyphenyl)-3,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-(4-methoxyphenyl)-3,8-dimethyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C35H29BrClNO5 MolecularWeight: 658.96546

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H29BrClNO5/c1-20-30(28-18-29(36)31(37)21(2)33(28)38-32(20)24-10-14-26(41-4)15-11-24)35(40)43-22(3)34(39)25-12-16-27(17-13-25)42-19-23-8-6-5-7-9-23/h5-18,22H,19H2,1-4H3