3-[1-(2,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(2,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(2,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(2,4-dimethylphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(2,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)O)C)C

InChI

InChI=1S/C16H20N2O2/c1-10-5-7-15(11(2)9-10)18-13(4)14(12(3)17-18)6-8-16(19)20/h5,7,9H,6,8H2,1-4H3,(H,19,20)