[5-(2-oxidanylidene-1,3-diazepan-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-oxidanylidene-1,3-diazepan-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(2-oxo-1,3-diazepan-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(2-oxo-1,3-diazepan-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(2-oxo-1,3-diazepan-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(2-keto-1,3-diazepan-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H30N2O8 MolecularWeight: 558.5785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)NC1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)NC1)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O8/c34-28(21-12-4-1-5-13-21)38-20-24-25(40-29(35)22-14-6-2-7-15-22)26(41-30(36)23-16-8-3-9-17-23)27(39-24)33-19-11-10-18-32-31(33)37/h1-9,12-17,24-27H,10-11,18-20H2,(H,32,37)