(4-oxidanylidene-4-phenyl-butyl) 4-pyrazol-1-ylbenzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 4-pyrazol-1-ylbenzoate Openeye Name: (4-oxo-4-phenyl-butyl) 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (4-keto-4-phenyl-butyl) ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H18N2O3/c23-19(16-6-2-1-3-7-16)8-4-15-25-20(24)17-9-11-18(12-10-17)22-14-5-13-21-22/h1-3,5-7,9-14H,4,8,15H2