methyl 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]butanoate

Systemtic Name: methyl 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]butanoate Openeye Name: methyl 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]butanoate CAS Name: 4-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]butanoate Traditional Name: 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]butyric acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H21N3O4/c1-12-16(13(2)21(20-12)14-8-5-4-6-9-14)17(23)18(24)19-11-7-10-15(22)25-3/h4-6,8-9H,7,10-11H2,1-3H3,(H,19,24)