(4-pyrazol-1-ylphenyl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

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