1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(4-methylcyclohexyl)amino]ethyl]pyrazole-3-carboxylate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C(C)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@H](C)N2C=CC(=N2)C(=O)[O-]

InChI

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