(1S,2R)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexanecarboxylate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14(19)20/h7,9,11-12H,3-6,8H2,1-2H3,(H,19,20)/p-1/t11-,12+/m1/s1