3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-1-(4-methylbenzyl)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)CN2C(=C(C(=N2)C)CCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)CCC(=O)O)C

InChI

InChI=1S/C16H20N2O2/c1-11-4-6-14(7-5-11)10-18-13(3)15(12(2)17-18)8-9-16(19)20/h4-7H,8-10H2,1-3H3,(H,19,20)