tert-butyl 3-[[6-methoxy-3-phenyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[6-methoxy-3-phenyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-methoxy-3-phenyl-3-(trifluoromethyl)-1H-isobenzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[6-methoxy-3-phenyl-3-(trifluoromethyl)-1H-isobenzofuran-5-yl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-methoxy-3-phenyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[6-methoxy-3-phenyl-3-(trifluoromethyl)phthalan-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C33H37F3N2O4 MolecularWeight: 582.65309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=C4COC(C4=C3)(C5=CC=CC=C5)C(F)(F)F)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=C4COC(C4=C3)(C5=CC=CC=C5)C(F)(F)F)OC

InChI

InChI=1S/C33H37F3N2O4/c1-31(2,3)42-30(39)38-17-11-16-27(29(38)22-12-7-5-8-13-22)37-20-23-18-26-24(19-28(23)40-4)21-41-32(26,33(34,35)36)25-14-9-6-10-15-25/h5-10,12-15,18-19,27,29,37H,11,16-17,20-21H2,1-4H3