(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-15(25)19(12-24)20(26)13-28-21(27)23-10-16-7-17(11-23)9-22(8-16,14-23)18-5-3-2-4-6-18/h2-6,16-17,19,25H,7-11,13-14H2,1H3/t16-,17+,19?,22?,23?