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

Systemtic Name: tert-butyl 3-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-2-benzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-isobenzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-isobenzofuran-5-yl]methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-2-benzofuran-5-yl]methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[[6-methoxy-3,3-bis(trifluoromethyl)phthalan-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C28H32F6N2O4 MolecularWeight: 574.555099

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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)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)C(F)(F)F)OC

InChI

InChI=1S/C28H32F6N2O4/c1-25(2,3)40-24(37)36-12-8-11-21(23(36)17-9-6-5-7-10-17)35-15-18-13-20-19(14-22(18)38-4)16-39-26(20,27(29,30)31)28(32,33)34/h5-7,9-10,13-14,21,23,35H,8,11-12,15-16H2,1-4H3