tert-butyl 3-[3-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[1-oxo-3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]isoindolin-2-yl]azetidine-1-carboxylate CAS Name: 3-[3-oxo-1-[oxo-[[4-(trifluoromethoxy)phenyl]methylamino]methyl]-1H-isoindol-2-yl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-oxo-1-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]azetidine-1-carboxylate Traditional Name: 3-[1-keto-3-[[4-(trifluoromethoxy)benzyl]carbamoyl]isoindolin-2-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C25H26F3N3O5 MolecularWeight: 505.48625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H26F3N3O5/c1-24(2,3)36-23(34)30-13-16(14-30)31-20(18-6-4-5-7-19(18)22(31)33)21(32)29-12-15-8-10-17(11-9-15)35-25(26,27)28/h4-11,16,20H,12-14H2,1-3H3,(H,29,32)