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

Systemtic Name: [5-(5-oxidanyl-2-oxidanylidene-1,3-diazepan-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(5-hydroxy-2-oxo-1,3-diazepan-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(5-hydroxy-2-oxo-1,3-diazepan-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(5-hydroxy-2-oxo-1,3-diazepan-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(5-hydroxy-2-keto-1,3-diazepan-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H30N2O9 MolecularWeight: 574.5779

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)NCC1O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)NCC1O)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/C31H30N2O9/c34-23-16-17-33(31(38)32-18-23)27-26(42-30(37)22-14-8-3-9-15-22)25(41-29(36)21-12-6-2-7-13-21)24(40-27)19-39-28(35)20-10-4-1-5-11-20/h1-15,23-27,34H,16-19H2,(H,32,38)