[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H25N3O3 MolecularWeight: 319.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C17H25N3O3/c1-6-9-18-16(21)11-23-17(22)8-7-15-13(4)19-20(14(15)5)10-12(2)3/h1,12H,7-11H2,2-5H3,(H,18,21)