4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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