[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)CCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O3/c1-4-19(2,3)21-17(23)14-25-18(24)11-10-15-12-20-22(13-15)16-8-6-5-7-9-16/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,21,23)