(5-tert-butyl-2-phenyl-pyrazol-3-yl) hexanoate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) hexanoate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) hexanoate CAS Name: hexanoic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) hexanoate Traditional Name: hexanoic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCCC(=O)OC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C19H26N2O2/c1-5-6-8-13-18(22)23-17-14-16(19(2,3)4)20-21(17)15-11-9-7-10-12-15/h7,9-12,14H,5-6,8,13H2,1-4H3