[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl] (5R,7S)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl] (5R,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(dibenzofuran-2-ylamino)-2-oxo-ethyl] (5R,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5R,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-(2-dibenzofuranylamino)-2-oxoethyl] ester IUPAC Name: [2-(dibenzofuran-2-ylamino)-2-oxoethyl] (5R,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5R,7S)-3-hydroxyadamantane-1-carboxylic acid [2-(dibenzofuran-2-ylamino)-2-keto-ethyl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC5=C(C=C4)OC6=CC=CC=C65

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC5=C(C=C4)OC6=CC=CC=C65

InChI

InChI=1S/C25H25NO5/c27-22(26-17-5-6-21-19(8-17)18-3-1-2-4-20(18)31-21)13-30-23(28)24-9-15-7-16(10-24)12-25(29,11-15)14-24/h1-6,8,15-16,29H,7,9-14H2,(H,26,27)/t15-,16+,24?,25?