[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-11(23-15(21)12-7-9-17-10-8-12)14(20)19-16(22)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,18,19,20,22)/t11-/m1/s1