ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(furan-2-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(furan-2-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-furylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-furanylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(furan-2-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-furfurylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC3=C(C=C2)OCCO3)CNCC4=CC=CO4

InChI

InChI=1S/C20H21N3O5/c1-2-25-20(24)16-12-22-23(17(16)13-21-11-15-4-3-7-26-15)14-5-6-18-19(10-14)28-9-8-27-18/h3-7,10,12,21H,2,8-9,11,13H2,1H3