3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[3-(4-ethylphenyl)-1-methyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]propanoic acid Traditional Name: 3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propionic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)C

InChI

InChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)15-13(8-9-14(18)19)10-17(2)16-15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)