[(1S)-2-oxidanylidenecyclopentyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclopentyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [(1S)-2-ketocyclopentyl] ester Formula: C21H16BrNO3 MolecularWeight: 410.26064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C[C@@H](C(=O)C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrNO3/c22-14-10-8-13(9-11-14)18-12-16(15-4-1-2-5-17(15)23-18)21(25)26-20-7-3-6-19(20)24/h1-2,4-5,8-12,20H,3,6-7H2/t20-/m0/s1