methyl 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[(4-piperonyloyl-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5/c1-27-22(26)17-5-3-16(4-6-17)14-23-9-2-10-24(12-11-23)21(25)18-7-8-19-20(13-18)29-15-28-19/h3-8,13H,2,9-12,14-15H2,1H3