(1S,2S)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamoyl]cyclohexanecarboxylate Formula: C15H22N3O3- MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-4-18-10(3)13(9(2)17-18)16-14(19)11-7-5-6-8-12(11)15(20)21/h11-12H,4-8H2,1-3H3,(H,16,19)(H,20,21)/p-1/t11-,12-/m0/s1