[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 6-bromanyl-7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 6-bromanyl-7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 6-bromo-7-chloro-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 6-bromo-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-(4-ethylphenyl)-8-methyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C34H27BrClNO4 MolecularWeight: 628.93948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Br)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Br)Cl)C

InChI

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