(2-phenyl-5-propyl-pyrazol-3-yl) 4-pentylbenzoate

Systemtic Name: (2-phenyl-5-propyl-pyrazol-3-yl) 4-pentylbenzoate Openeye Name: (2-phenyl-5-propyl-pyrazol-3-yl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (2-phenyl-5-propyl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propylpyrazol-3-yl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (2-phenyl-5-propyl-pyrazol-3-yl) ester Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)CCC

InChI

InChI=1S/C24H28N2O2/c1-3-5-7-11-19-14-16-20(17-15-19)24(27)28-23-18-21(10-4-2)25-26(23)22-12-8-6-9-13-22/h6,8-9,12-18H,3-5,7,10-11H2,1-2H3