4-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-4-keto-butyric acid Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN3O3/c1-17(2,3)13-10-14(19-15(22)8-9-16(23)24)21(20-13)12-6-4-11(18)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,23,24)