methyl 4-[[6-oxidanyl-3-oxidanylidene-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-oxidanyl-3-oxidanylidene-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-hydroxy-3-oxo-4-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[6-hydroxy-3-oxo-4-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-hydroxy-3-oxo-4-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[6-hydroxy-3-keto-4-[3-(2-ketopyrrolidino)propyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CCCN3CCCC3=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CCCN3CCCC3=O)O

InChI

InChI=1S/C21H29N3O5/c1-29-21(28)17-7-5-16(6-8-17)12-22-13-18(25)14-24(20(27)15-22)11-3-10-23-9-2-4-19(23)26/h5-8,18,25H,2-4,9-15H2,1H3