2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypyridine-4-carboxylate

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypyridine-4-carboxylate Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]pyridine-4-carboxylate CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-pyridinecarboxylate IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypyridine-4-carboxylate Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]isonicotinate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=NC=CC(=C2)C(=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-10(2)13-5-4-11(3)8-14(13)20-15-9-12(16(18)19)6-7-17-15/h6-7,9-11,13-14H,4-5,8H2,1-3H3,(H,18,19)/p-1/t11-,13+,14-/m0/s1