3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: 3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=NN(C=C2C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=NN(C=C2C(=O)[O-])C

InChI

InChI=1S/C14H21N3O3/c1-8-5-4-6-11(9(8)2)15-13(18)12-10(14(19)20)7-17(3)16-12/h7-9,11H,4-6H2,1-3H3,(H,15,18)(H,19,20)/p-1/t8-,9+,11-/m0/s1