[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=NC=C2

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H22N2O3/c1-13(22-17(21)15-8-10-18-11-9-15)16(20)19-12-7-14-5-3-2-4-6-14/h5,8-11,13H,2-4,6-7,12H2,1H3,(H,19,20)/t13-/m0/s1