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

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] pyridine-4-carboxylate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=NC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-11(2)14-5-4-12(3)10-15(14)19-16(18)13-6-8-17-9-7-13/h6-9,11-12,14-15H,4-5,10H2,1-3H3/t12-,14-,15+/m0/s1