[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-isopropylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-p-cumenylcinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO3/c1-17(2)18-7-9-19(10-8-18)25-15-23(22-5-3-4-6-24(22)29-25)27(31)32-16-26(30)20-11-13-21(28)14-12-20/h3-15,17H,16H2,1-2H3