2-[(1S,3S)-3-methylcyclohexyl]oxypyridine-4-carboxylate

Systemtic Name: 2-[(1S,3S)-3-methylcyclohexyl]oxypyridine-4-carboxylate Openeye Name: 2-[(1S,3S)-3-methylcyclohexoxy]pyridine-4-carboxylate CAS Name: 2-[(1S,3S)-3-methylcyclohexyl]oxy-4-pyridinecarboxylate IUPAC Name: 2-[(1S,3S)-3-methylcyclohexyl]oxypyridine-4-carboxylate Traditional Name: 2-[(1S,3S)-3-methylcyclohexoxy]isonicotinate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC2=NC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)OC2=NC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-9-3-2-4-11(7-9)17-12-8-10(13(15)16)5-6-14-12/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)/p-1/t9-,11-/m0/s1