4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-4-keto-butyric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H19N3O3/c1-11-16(17-14(20)8-9-15(21)22)12(2)19(18-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)(H,21,22)