(5-oxidanyl-2-adamantyl) (3R)-3-[(3-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: (5-oxidanyl-2-adamantyl) (3R)-3-[(3-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: (5-hydroxy-2-adamantyl) (3R)-3-[(3-cyano-2-pyridyl)amino]pyrrolidine-1-carboxylate CAS Name: (3R)-3-[(3-cyano-2-pyridinyl)amino]-1-pyrrolidinecarboxylic acid (5-hydroxy-2-adamantyl) ester IUPAC Name: (5-hydroxy-2-adamantyl) (3R)-3-[(3-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate Traditional Name: (3R)-3-[(3-cyano-2-pyridyl)amino]pyrrolidine-1-carboxylic acid (5-hydroxy-2-adamantyl) ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=C(C=CC=N2)C#N)C(=O)OC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

C1CN(C[C@@H]1NC2=C(C=CC=N2)C#N)C(=O)OC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C21H26N4O3/c22-11-14-2-1-4-23-19(14)24-17-3-5-25(12-17)20(26)28-18-15-6-13-7-16(18)10-21(27,8-13)9-15/h1-2,4,13,15-18,27H,3,5-10,12H2,(H,23,24)/t13?,15?,16?,17-,18?,21?/m1/s1