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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H19BrClNO3 MolecularWeight: 508.79096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H19BrClNO3/c1-2-16-3-5-18(6-4-16)25(30)15-32-26(31)22-14-24(17-7-10-20(28)11-8-17)29-23-12-9-19(27)13-21(22)23/h3-14H,2,15H2,1H3