2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O4/c1-13-6-8-14(9-7-13)16-10-17(22-21-16)20(23)25-12-15-11-24-18-4-2-3-5-19(18)26-15/h2-10,15H,11-12H2,1H3,(H,21,22)