3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanoate

Systemtic Name: 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanoate Openeye Name: 3-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]propionate Formula: C15H17N2O2- MolecularWeight: 257.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)[O-])C

InChI

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