2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]ethanoate

Systemtic Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]ethanoate Openeye Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetate CAS Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)-4-pyrazolyl]acetate IUPAC Name: 2-[1-tert-butyl-3-(4-ethoxyphenyl)pyrazol-4-yl]acetate Traditional Name: 2-(1-tert-butyl-3-p-phenetyl-pyrazol-4-yl)acetate Formula: C17H21N2O3- MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2CC(=O)[O-])C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2CC(=O)[O-])C(C)(C)C

InChI

InChI=1S/C17H22N2O3/c1-5-22-14-8-6-12(7-9-14)16-13(10-15(20)21)11-19(18-16)17(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,20,21)/p-1