[(1R)-1-cyanoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [(1R)-1-cyanoethyl] ester Formula: C19H13BrN2O2 MolecularWeight: 381.22272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H13BrN2O2/c1-12(11-21)24-19(23)16-10-18(13-5-4-6-14(20)9-13)22-17-8-3-2-7-15(16)17/h2-10,12H,1H3/t12-/m1/s1