(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC(C)C(=O)N

InChI

InChI=1S/C17H21N3O3/c1-11-15(9-10-16(21)23-13(3)17(18)22)12(2)20(19-11)14-7-5-4-6-8-14/h4-8,13H,9-10H2,1-3H3,(H2,18,22)