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

Systemtic Name: tert-butyl 3-[[6-methoxy-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-methoxy-3-(trifluoromethyl)-1,3-dihydroisobenzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[6-methoxy-3-(trifluoromethyl)-1,3-dihydroisobenzofuran-5-yl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-methoxy-3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[6-methoxy-3-(trifluoromethyl)phthalan-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33F3N2O4 MolecularWeight: 506.55713

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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)C(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H33F3N2O4/c1-26(2,3)36-25(33)32-12-8-11-21(23(32)17-9-6-5-7-10-17)31-15-18-13-20-19(14-22(18)34-4)16-35-24(20)27(28,29)30/h5-7,9-10,13-14,21,23-24,31H,8,11-12,15-16H2,1-4H3