1-[(4-tert-butyl-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-tert-butyl-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(4-tert-butyl-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(4-tert-butyl-2-methylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-tert-butyl-2-methylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-tert-butyl-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCN2C=CC(=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-11-9-12(16(2,3)4)5-6-14(11)21-10-18-8-7-13(17-18)15(19)20/h5-9H,10H2,1-4H3,(H,19,20)