methyl 3,5-dimethoxy-2-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3,5-dimethoxy-2-[[4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(2-benzyloxy-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]-3,5-dimethoxy-benzoate CAS Name: 3,5-dimethoxy-2-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-dimethoxy-2-[[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 2-[[4-(2-benzoxy-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]-3,5-dimethoxy-benzoic acid methyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H32N2O6/c1-30-20-14-21(25(29)32-3)22(23(15-20)31-2)16-26-10-7-11-27(13-12-26)17-24(28)33-18-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13,16-18H2,1-3H3