[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl] ester Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C15H20N2O3/c1-11-4-2-3-5-13(11)17-14(18)10-20-15(19)12-6-8-16-9-7-12/h6-9,11,13H,2-5,10H2,1H3,(H,17,18)/t11-,13+/m1/s1