[(1R)-1-cyanoethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid [(1R)-1-cyanoethyl] ester Formula: C20H15BrN2O3 MolecularWeight: 411.2487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H15BrN2O3/c1-12(11-22)26-20(24)17-10-19(13-3-6-15(25-2)7-4-13)23-18-8-5-14(21)9-16(17)18/h3-10,12H,1-2H3/t12-/m1/s1