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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-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-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C19H21N3O3/c1-4-12-20-18(23)13-25-19(24)11-10-17-14(2)21-22(15(17)3)16-8-6-5-7-9-16/h1,5-9H,10-13H2,2-3H3,(H,20,23)