(4-pyrazol-1-ylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H20N2O5/c29-25(19-8-11-23-24(16-19)32-15-14-31-23)21-4-1-2-5-22(21)26(30)33-17-18-6-9-20(10-7-18)28-13-3-12-27-28/h1-13,16H,14-15,17H2