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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5R,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (5R,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5R,7R)-3-acetamido-1-adamantanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (5R,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5R,7R)-3-acetamidoadamantane-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-11(21)15(8-20)16(24)9-26-17(25)18-4-13-3-14(5-18)7-19(6-13,10-18)22-12(2)23/h13-15,21H,3-7,9-10H2,1-2H3,(H,22,23)/t13-,14-,15?,18?,19?/m1/s1