methyl (2S,4S,5R)-4-(butylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-4-(butylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(butylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-4-[butylamino(oxo)methyl]-5-(2-fluorophenyl)-1-methyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(butylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-4-(butylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H25FN2O3 MolecularWeight: 336.401103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC(N(C1C2=CC=CC=C2F)C)C(=O)OC

Isomeric SMILES

CCCCNC(=O)[C@H]1C[C@H](N([C@H]1C2=CC=CC=C2F)C)C(=O)OC

InChI

InChI=1S/C18H25FN2O3/c1-4-5-10-20-17(22)13-11-15(18(23)24-3)21(2)16(13)12-8-6-7-9-14(12)19/h6-9,13,15-16H,4-5,10-11H2,1-3H3,(H,20,22)/t13-,15-,16-/m0/s1