1-[(2S)-1-oxidanylidene-1-(3-propan-2-yloxypropylamino)propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(3-propan-2-yloxypropylamino)propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-2-(3-isopropoxypropylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-oxo-1-(3-propan-2-yloxypropylamino)propan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-oxo-1-(3-propan-2-yloxypropylamino)propan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-(3-isopropoxypropylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C13H20N3O4- MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C(C)N1C=CC(=N1)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCCOC(C)C)N1C=CC(=N1)C(=O)[O-]

InChI

InChI=1S/C13H21N3O4/c1-9(2)20-8-4-6-14-12(17)10(3)16-7-5-11(15-16)13(18)19/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,17)(H,18,19)/p-1/t10-/m0/s1