[(3S,4R,5R,6R)-6-oxidanyl-4,5-bis(phenylcarbonyloxy)azepan-3-yl] benzoate

Systemtic Name: [(3S,4R,5R,6R)-6-oxidanyl-4,5-bis(phenylcarbonyloxy)azepan-3-yl] benzoate Openeye Name: [(3S,4R,5R,6R)-4,5-dibenzoyloxy-6-hydroxy-azepan-3-yl] benzoate CAS Name: benzoic acid [(3S,4R,5R,6R)-4,5-dibenzoyloxy-6-hydroxy-3-azepanyl] ester IUPAC Name: [(3S,4R,5R,6R)-4,5-dibenzoyloxy-6-hydroxyazepan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4R,5R,6R)-4,5-dibenzoyloxy-6-hydroxy-azepan-3-yl] ester Formula: C27H25NO7 MolecularWeight: 475.4899

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(CN1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1[C@H]([C@H]([C@@H]([C@H](CN1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C27H25NO7/c29-21-16-28-17-22(33-25(30)18-10-4-1-5-11-18)24(35-27(32)20-14-8-3-9-15-20)23(21)34-26(31)19-12-6-2-7-13-19/h1-15,21-24,28-29H,16-17H2/t21-,22+,23-,24-/m1/s1