[5-[[4-(2-benzamido-2-oxidanyl-ethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-benzamido-2-oxidanyl-ethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-benzamido-2-hydroxy-acetyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-(2-benzamido-2-hydroxy-1-oxoethyl)-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-benzamido-2-hydroxyacetyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(2-benzamido-2-hydroxy-acetyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C(NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C(NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H27N3O6/c1-16(26)30-15-19-9-8-18(31-19)14-24-10-5-11-25(13-12-24)22(29)21(28)23-20(27)17-6-3-2-4-7-17/h2-4,6-9,21,28H,5,10-15H2,1H3,(H,23,27)