methyl 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(coumaran-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H26N2O4/c1-25-21(24)20-6-4-18(27-20)15-23-9-2-8-22(10-11-23)14-16-3-5-19-17(13-16)7-12-26-19/h3-6,13H,2,7-12,14-15H2,1H3