2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H17ClN2O4/c21-17-6-2-1-5-14(17)10-23-11-15(9-22-23)20(24)26-13-16-12-25-18-7-3-4-8-19(18)27-16/h1-9,11,16H,10,12-13H2