[5-[(2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoyl]oxy-2-adamantyl] benzoate

Systemtic Name: [5-[(2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoyl]oxy-2-adamantyl] benzoate Openeye Name: [5-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-2-adamantyl] benzoate CAS Name: benzoic acid [5-[(2R,3S)-3-benzamido-2-hydroxy-1-oxo-3-phenylpropoxy]-2-adamantyl] ester IUPAC Name: [5-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-2-adamantyl] benzoate Traditional Name: benzoic acid [5-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-2-adamantyl] ester Formula: C33H33NO6 MolecularWeight: 539.61822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3OC(=O)C4=CC=CC=C4)OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3OC(=O)C4=CC=CC=C4)OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C33H33NO6/c35-28(27(22-10-4-1-5-11-22)34-30(36)23-12-6-2-7-13-23)32(38)40-33-18-21-16-25(19-33)29(26(17-21)20-33)39-31(37)24-14-8-3-9-15-24/h1-15,21,25-29,35H,16-20H2,(H,34,36)/t21?,25?,26?,27-,28+,29?,33?/m0/s1