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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 6-bromo-2-(4-ethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-ethylphenyl)-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 6-bromo-2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-ethylphenyl)cinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)CC

InChI

InChI=1S/C28H24BrNO3/c1-3-18-5-9-20(10-6-18)26-16-24(23-15-22(29)13-14-25(23)30-26)28(32)33-17-27(31)21-11-7-19(4-2)8-12-21/h5-16H,3-4,17H2,1-2H3