[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20N2O3 MolecularWeight: 276.3309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CN=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H20N2O3/c1-11(14(18)17-13-7-3-2-4-8-13)20-15(19)12-6-5-9-16-10-12/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,17,18)/t11-/m0/s1