methyl 6-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]hexanoate Openeye Name: methyl 6-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]hexanoate CAS Name: 6-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]hexanoate Traditional Name: 6-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]hexanoic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-14-18(15(2)23(22-14)16-10-6-4-7-11-16)19(25)20(26)21-13-9-5-8-12-17(24)27-3/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,21,26)