[(1S,2S,4R,5S)-3,3'-bis(oxidanylidene)spiro[bicyclo[2.2.2]octane-2,4'-cyclohexene]-5-yl] (2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: [(1S,2S,4R,5S)-3,3'-bis(oxidanylidene)spiro[bicyclo[2.2.2]octane-2,4'-cyclohexene]-5-yl] (2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: [(1S,2S,4R,5S)-3,3'-dioxospiro[bicyclo[2.2.2]octane-2,4'-cyclohexene]-5-yl] (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid [(1S,2S,4R,5S)-3,3'-dioxo-5-spiro[bicyclo[2.2.2]octane-2,4'-cyclohexene]yl] ester IUPAC Name: [(1S,2S,4R,5S)-3,3'-dioxospiro[bicyclo[2.2.2]octane-2,4'-cyclohexene]-5-yl] (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propionic acid [(1S,2S,4R,5S)-3,3'-diketospiro[bicyclo[2.2.2]octane-2,4'-cyclohexene]-5-yl] ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C3CCC(C2=O)C(C3)OC(=O)C(C(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)C(=O)C=C1

Isomeric SMILES

C1C[C@]2([C@H]3CC[C@@H](C2=O)[C@H](C3)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)C(=O)C=C1

InChI

InChI=1S/C29H29NO6/c31-23-13-7-8-16-29(23)20-14-15-21(26(29)33)22(17-20)36-28(35)25(32)24(18-9-3-1-4-10-18)30-27(34)19-11-5-2-6-12-19/h1-7,9-13,20-22,24-25,32H,8,14-17H2,(H,30,34)/t20-,21+,22-,24-,25+,29-/m0/s1