methyl 5-[[4-[(7-ethoxy-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(7-ethoxy-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(7-ethoxybenzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(7-ethoxy-2-benzofuranyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(7-ethoxy-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(7-ethoxybenzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C23H26N2O6/c1-3-29-18-7-4-6-16-14-20(31-21(16)18)22(26)25-11-5-10-24(12-13-25)15-17-8-9-19(30-17)23(27)28-2/h4,6-9,14H,3,5,10-13,15H2,1-2H3