[(3aS,4R,5S,6S,7aS)-2-oxidanylidene-5-(phenylcarbonyloxy)-4-phenylmethoxy-3-(phenylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl benzoate

Systemtic Name: [(3aS,4R,5S,6S,7aS)-2-oxidanylidene-5-(phenylcarbonyloxy)-4-phenylmethoxy-3-(phenylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl benzoate Openeye Name: [(3aS,4R,5S,6S,7aS)-5-benzoyloxy-3-benzyl-4-benzyloxy-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl benzoate CAS Name: benzoic acid [(3aS,4R,5S,6S,7aS)-5-benzoyloxy-2-oxo-4-phenylmethoxy-3-(phenylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl ester IUPAC Name: [(3aS,4R,5S,6S,7aS)-5-benzoyloxy-3-benzyl-2-oxo-4-phenylmethoxy-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl benzoate Traditional Name: benzoic acid [(3aS,4R,5S,6S,7aS)-4-benzoxy-5-benzoyloxy-3-benzyl-2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl ester Formula: C36H33NO7 MolecularWeight: 591.64972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C2C1OC(=O)N2CC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

Isomeric SMILES

C1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1OC(=O)N2CC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H33NO7/c38-34(27-17-9-3-10-18-27)42-24-29-21-30-31(37(36(40)43-30)22-25-13-5-1-6-14-25)33(41-23-26-15-7-2-8-16-26)32(29)44-35(39)28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31-,32-,33+/m0/s1