4-(3,5-dimethyl-4-prop-2-enyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(3,5-dimethyl-4-prop-2-enyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-(4-allyl-3,5-dimethyl-pyrazol-1-yl)benzoic acid CAS Name: 4-(3,5-dimethyl-4-prop-2-enyl-1-pyrazolyl)benzoic acid IUPAC Name: 4-(3,5-dimethyl-4-prop-2-enylpyrazol-1-yl)benzoic acid Traditional Name: 4-(4-allyl-3,5-dimethyl-pyrazol-1-yl)benzoic acid Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2/c1-4-5-14-10(2)16-17(11(14)3)13-8-6-12(7-9-13)15(18)19/h4,6-9H,1,5H2,2-3H3,(H,18,19)