(1S,2R)-2-[(1-ethylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(1-ethylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(1-ethylpyrazol-4-yl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[(1-ethyl-4-pyrazolyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(1-ethylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(1-ethylpyrazol-4-yl)methylcarbamoyl]cyclohexanecarboxylate Formula: C14H20N3O3- MolecularWeight: 278.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-2-17-9-10(8-16-17)7-15-13(18)11-5-3-4-6-12(11)14(19)20/h8-9,11-12H,2-7H2,1H3,(H,15,18)(H,19,20)/p-1/t11-,12+/m1/s1