4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-4-oxobutanoic acid IUPAC Name: 4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylamino]butyric acid Formula: C12H16F3N3O3 MolecularWeight: 307.26895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CCC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H16F3N3O3/c1-8-7-9(12(13,14)15)17-18(8)6-2-5-16-10(19)3-4-11(20)21/h7H,2-6H2,1H3,(H,16,19)(H,20,21)