[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO3/c1-3-18-8-10-20(11-9-18)26(30)17(2)32-27(31)23-16-25(19-12-14-21(28)15-13-19)29-24-7-5-4-6-22(23)24/h4-17H,3H2,1-2H3