[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H25N3O4/c1-13(19(27)16(11-24)20-25-17-4-2-3-5-18(17)26-20)30-21(28)22-7-14-6-15(8-22)10-23(29,9-14)12-22/h2-5,13-15,25-26,29H,6-10,12H2,1H3/t13-,14-,15+,22?,23?/m1/s1