tert-butyl 3-[2-oxidanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-oxidanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]pyrrolidine-1-carboxylate CAS Name: 3-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[2-keto-5-(trifluoromethyl)-3H-benzimidazol-1-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H20F3N3O3 MolecularWeight: 371.35421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C3=C(C=C(C=C3)C(F)(F)F)NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C3=C(C=C(C=C3)C(F)(F)F)NC2=O

InChI

InChI=1S/C17H20F3N3O3/c1-16(2,3)26-15(25)22-7-6-11(9-22)23-13-5-4-10(17(18,19)20)8-12(13)21-14(23)24/h4-5,8,11H,6-7,9H2,1-3H3,(H,21,24)