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

Systemtic Name: butyl 3-[[6-methoxy-3,3-bis(trifluoromethyl)-1H-2-benzofuran-5-yl]methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C28H32F6N2O4 MolecularWeight: 574.555099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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