3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoic acid

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoic acid Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoic acid CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)O

InChI

InChI=1S/C14H16N2O2/c1-10-13(8-9-14(17)18)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18)