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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-9-3-5-12(6-4-9)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)/p-1/t9?,10-,12?/m0/s1