O1-tert-butyl O2-methyl (2S,4R)-4-(isoquinolin-6-ylamino)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,4R)-4-(isoquinolin-6-ylamino)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,4R)-4-(6-isoquinolylamino)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R)-4-(6-isoquinolinylamino)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-(isoquinolin-6-ylamino)pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R)-4-(6-isoquinolylamino)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)NC2=CC3=C(C=C2)C=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)NC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-12-16(10-17(23)18(24)26-4)22-15-6-5-14-11-21-8-7-13(14)9-15/h5-9,11,16-17,22H,10,12H2,1-4H3/t16-,17+/m1/s1