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

Systemtic Name: (5-methoxycarbonyl-2-adamantyl) (3R)-3-[(3-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: (5-methoxycarbonyl-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-methoxycarbonyl-2-adamantyl) ester IUPAC Name: (5-methoxycarbonyl-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-carbomethoxy-2-adamantyl) ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)C(C(C3)C2)OC(=O)N4CCC(C4)NC5=C(C=CC=N5)C#N

Isomeric SMILES

COC(=O)C12CC3CC(C1)C(C(C3)C2)OC(=O)N4CC[C@H](C4)NC5=C(C=CC=N5)C#N

InChI

InChI=1S/C23H28N4O4/c1-30-21(28)23-9-14-7-16(10-23)19(17(8-14)11-23)31-22(29)27-6-4-18(13-27)26-20-15(12-24)3-2-5-25-20/h2-3,5,14,16-19H,4,6-11,13H2,1H3,(H,25,26)/t14?,16?,17?,18-,19?,23?/m1/s1