3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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