[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O4/c1-10-5-2-3-7-12(10)19-16(23)20-13(21)9-24-15(22)11-6-4-8-18-14(11)17/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H2,19,20,21,23)/t10-,12-/m0/s1