[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-8-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-8-carboxylate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=CC=CC2=C1N=CC=C2

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C17H17N3O3/c1-12(16(21)20(2)11-5-9-18)23-17(22)14-8-3-6-13-7-4-10-19-15(13)14/h3-4,6-8,10,12H,5,11H2,1-2H3/t12-/m1/s1