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

Systemtic Name: tert-butyl 4-[3-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-oxo-3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[3-oxo-1-[oxo-[[4-(trifluoromethoxy)phenyl]methylamino]methyl]-1H-isoindol-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-oxo-1-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-3-[[4-(trifluoromethoxy)benzyl]carbamoyl]isoindolin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H30F3N3O5 MolecularWeight: 533.53941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C27H30F3N3O5/c1-26(2,3)38-25(36)32-14-12-18(13-15-32)33-22(20-6-4-5-7-21(20)24(33)35)23(34)31-16-17-8-10-19(11-9-17)37-27(28,29)30/h4-11,18,22H,12-16H2,1-3H3,(H,31,34)