(1S,2S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(1-ethyl-5-methyl-4-pyrazolyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylcarbamoyl]cyclohexanecarboxylate Formula: C15H22N3O3- MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-3-18-10(2)11(9-17-18)8-16-14(19)12-6-4-5-7-13(12)15(20)21/h9,12-13H,3-8H2,1-2H3,(H,16,19)(H,20,21)/p-1/t12-,13-/m0/s1