3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)benzoic acid Openeye Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)benzoic acid CAS Name: 3-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-4-(trifluoromethyl)benzoic acid IUPAC Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)benzoic acid Traditional Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)benzoic acid Formula: C19H20F3N3O4 MolecularWeight: 411.37501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=CC(=C3)C(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=CC(=C3)C(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C19H20F3N3O4/c20-19(21,22)14-5-3-11(18(27)28)8-16(14)29-10-12-4-6-15(24-12)17(26)25-7-1-2-13(25)9-23/h3,5,8,12-13,15,24H,1-2,4,6-7,10H2,(H,27,28)