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

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 6-[(tert-butoxycarbonylamino)methyl]pyridine-3-carboxylate CAS Name: 6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-pyridinecarboxylic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate Traditional Name: 6-[(tert-butoxycarbonylamino)methyl]nicotinic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-14(2)18-10-7-15(3)11-19(18)27-20(25)16-8-9-17(23-12-16)13-24-21(26)28-22(4,5)6/h8-9,12,14-15,18-19H,7,10-11,13H2,1-6H3,(H,24,26)/t15-,18+,19+/m1/s1