5-tert-butyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-ethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-p-phenetyl-pyrazole-3-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C16H20N2O3/c1-5-21-12-8-6-11(7-9-12)18-14(16(2,3)4)10-13(17-18)15(19)20/h6-10H,5H2,1-4H3,(H,19,20)