[(2S)-1-[(1R,2S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypropan-2-yl] 6-(aminomethyl)pyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(1R,2S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypropan-2-yl] 6-(aminomethyl)pyridine-3-carboxylate Openeye Name: [(1S)-2-[(1R,2S)-2-isopropyl-5-methyl-cyclohexoxy]-1-methyl-ethyl] 6-(aminomethyl)pyridine-3-carboxylate CAS Name: 6-(aminomethyl)-3-pyridinecarboxylic acid [(2S)-1-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-yl] ester IUPAC Name: [(2S)-1-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-yl] 6-(aminomethyl)pyridine-3-carboxylate Traditional Name: 6-(aminomethyl)nicotinic acid [(1S)-2-[(1R,2S)-2-isopropyl-5-methyl-cyclohexoxy]-1-methyl-ethyl] ester Formula: C20H32N2O3 MolecularWeight: 348.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(C)OC(=O)C2=CN=C(C=C2)CN)C(C)C

Isomeric SMILES

CC1CC[C@H]([C@@H](C1)OC[C@H](C)OC(=O)C2=CN=C(C=C2)CN)C(C)C

InChI

InChI=1S/C20H32N2O3/c1-13(2)18-8-5-14(3)9-19(18)24-12-15(4)25-20(23)16-6-7-17(10-21)22-11-16/h6-7,11,13-15,18-19H,5,8-10,12,21H2,1-4H3/t14?,15-,18-,19+/m0/s1