3-[2-(4-tert-butylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[2-(4-tert-butylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]propanoic acid Openeye Name: 3-[2-(4-tert-butylphenyl)-5-(3-pyridyl)pyrazol-3-yl]propanoic acid CAS Name: 3-[2-(4-tert-butylphenyl)-5-(3-pyridinyl)-3-pyrazolyl]propanoic acid IUPAC Name: 3-[2-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazol-3-yl]propanoic acid Traditional Name: 3-[2-(4-tert-butylphenyl)-5-(3-pyridyl)pyrazol-3-yl]propionic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)CCC(=O)O

InChI

InChI=1S/C21H23N3O2/c1-21(2,3)16-6-8-17(9-7-16)24-18(10-11-20(25)26)13-19(23-24)15-5-4-12-22-14-15/h4-9,12-14H,10-11H2,1-3H3,(H,25,26)