[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 6-bromo-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C31H20BrCl2NO4 MolecularWeight: 621.3048

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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=C(C=C(C=C5)Cl)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=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H20BrCl2NO4/c32-21-8-13-28-25(14-21)26(31(37)39-18-30(36)24-12-9-22(33)15-27(24)34)16-29(35-28)20-6-10-23(11-7-20)38-17-19-4-2-1-3-5-19/h1-16H,17-18H2