1-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylate

Systemtic Name: 1-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylate Openeye Name: 1-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxo-propyl]pyrazole-3-carboxylate CAS Name: 1-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]-3-pyrazolecarboxylate IUPAC Name: 1-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]pyrazole-3-carboxylate Traditional Name: 1-[3-keto-3-[[(1R,2S)-2-methylcyclohexyl]amino]propyl]pyrazole-3-carboxylate Formula: C14H20N3O3- MolecularWeight: 278.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CCN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CCN2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-10-4-2-3-5-11(10)15-13(18)7-9-17-8-6-12(16-17)14(19)20/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)(H,19,20)/p-1/t10-,11+/m0/s1