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

Systemtic Name: 3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoate Openeye Name: 3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoate CAS Name: 3-[3-(4-ethylphenyl)-1-methyl-4-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]propanoate Traditional Name: 3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propionate Formula: C15H17N2O2- MolecularWeight: 257.30768

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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)/p-1