3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: 3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: 3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3-tert-butyl-1-phenyl-4-pyrazolyl)propanoate IUPAC Name: 3-(3-tert-butyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3-tert-butyl-1-phenyl-pyrazol-4-yl)propionate Formula: C16H19N2O2- MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1CCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1CCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2/c1-16(2,3)15-12(9-10-14(19)20)11-18(17-15)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20)/p-1