(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCCN1C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H]1CCCN1C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O4/c1-13(24)17(11-23)19(26)12-29-20(27)18-3-2-4-25(18)21(28)22-8-14-5-15(9-22)7-16(6-14)10-22/h14-18,24H,2-10,12H2,1H3/t14?,15?,16?,17?,18-,22?/m1/s1