3-tert-butyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-1-(p-tolylmethyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-1-(4-methylbenzyl)pyrazole-4-carboxylic 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(C)(C)C)C(=O)O

Isomeric SMILES

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

InChI

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