methyl 5-[[4-[(2,4-dimethoxy-6-methoxycarbonyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2,4-dimethoxy-6-methoxycarbonyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2,4-dimethoxy-6-methoxycarbonyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2,4-dimethoxy-6-methoxycarbonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2,4-dimethoxy-6-methoxycarbonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-carbomethoxy-4,6-dimethoxy-benzyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)OC

InChI

InChI=1S/C23H30N2O7/c1-28-17-12-18(22(26)30-3)19(21(13-17)29-2)15-25-9-5-8-24(10-11-25)14-16-6-7-20(32-16)23(27)31-4/h6-7,12-13H,5,8-11,14-15H2,1-4H3