[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 6-bromo-2-(4-butylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-butylphenyl)-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 6-bromo-2-(4-butylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-butylphenyl)cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C28H23BrClNO3 MolecularWeight: 536.84412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H23BrClNO3/c1-2-3-4-18-5-7-19(8-6-18)26-16-24(23-15-21(29)11-14-25(23)31-26)28(33)34-17-27(32)20-9-12-22(30)13-10-20/h5-16H,2-4,17H2,1H3