quinolin-2-ylmethyl (2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylate

Systemtic Name: quinolin-2-ylmethyl (2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylate Openeye Name: 2-quinolylmethyl (2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl (2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(3-bromo-2-isoxazolin-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid 2-quinolylmethyl ester Formula: C20H21BrN4O4 MolecularWeight: 461.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NCC2CC(=NO2)Br)C(=O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)NCC2CC(=NO2)Br)C(=O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21BrN4O4/c21-18-10-15(29-24-18)11-22-20(27)25-9-3-6-17(25)19(26)28-12-14-8-7-13-4-1-2-5-16(13)23-14/h1-2,4-5,7-8,15,17H,3,6,9-12H2,(H,22,27)/t15?,17-/m0/s1