3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoate

Systemtic Name: 3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoate Openeye Name: 3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoate CAS Name: 3-[1-tert-butyl-3-(4-methoxyphenyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoate Traditional Name: 3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propionate Formula: C17H21N2O3- MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)OC)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)OC)CCC(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-17(2,3)19-11-13(7-10-15(20)21)16(18-19)12-5-8-14(22-4)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3,(H,20,21)/p-1