1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]pyrazole-4-carboxylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C14H21N3O3/c1-9-5-3-4-6-12(9)16-13(18)10(2)17-8-11(7-15-17)14(19)20/h7-10,12H,3-6H2,1-2H3,(H,16,18)(H,19,20)/t9-,10+,12+/m0/s1