(2-azanyl-2-oxidanylidene-ethyl) 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid (2-amino-2-keto-ethyl) ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-11-15(7-8-17(22)24-10-16(18)21)12(2)20(19-11)13-5-4-6-14(9-13)23-3/h4-6,9H,7-8,10H2,1-3H3,(H2,18,21)