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

Systemtic Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O3/c1-10-4-2-3-5-12(10)18-14(19)9-21-15(20)11-6-7-17-13(16)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,18,19)/t10-,12+/m0/s1