(5-oxidanyl-2-adamantyl) (3R)-3-[(6-cyanoquinolin-2-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: (5-oxidanyl-2-adamantyl) (3R)-3-[(6-cyanoquinolin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: (5-hydroxy-2-adamantyl) (3R)-3-[(6-cyano-2-quinolyl)amino]pyrrolidine-1-carboxylate CAS Name: (3R)-3-[(6-cyano-2-quinolinyl)amino]-1-pyrrolidinecarboxylic acid (5-hydroxy-2-adamantyl) ester IUPAC Name: (5-hydroxy-2-adamantyl) (3R)-3-[(6-cyanoquinolin-2-yl)amino]pyrrolidine-1-carboxylate Traditional Name: (3R)-3-[(6-cyano-2-quinolyl)amino]pyrrolidine-1-carboxylic acid (5-hydroxy-2-adamantyl) ester Formula: C25H28N4O3 MolecularWeight: 432.51482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC3=C(C=C2)C=C(C=C3)C#N)C(=O)OC4C5CC6CC4CC(C6)(C5)O

Isomeric SMILES

C1CN(C[C@@H]1NC2=NC3=C(C=C2)C=C(C=C3)C#N)C(=O)OC4C5CC6CC4CC(C6)(C5)O

InChI

InChI=1S/C25H28N4O3/c26-13-15-1-3-21-17(7-15)2-4-22(28-21)27-20-5-6-29(14-20)24(30)32-23-18-8-16-9-19(23)12-25(31,10-16)11-18/h1-4,7,16,18-20,23,31H,5-6,8-12,14H2,(H,27,28)/t16?,18?,19?,20-,23?,25?/m1/s1