(1,3-diphenylpyrazol-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4/c29-25(16-19-11-12-23-24(15-19)31-14-13-30-23)32-18-21-17-28(22-9-5-2-6-10-22)27-26(21)20-7-3-1-4-8-20/h1-12,15,17H,13-14,16,18H2