(1S,2R)-2-[(1-ethylpyrazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(1-ethylpyrazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(1-ethylpyrazol-3-yl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[(1-ethyl-3-pyrazolyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(1-ethylpyrazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(1-ethylpyrazol-3-yl)methylcarbamoyl]cyclohexanecarboxylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

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

InChI

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