[3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidin-1-yl] tert-butyl carbonate

Systemtic Name: [3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidin-1-yl] tert-butyl carbonate Openeye Name: [3-(benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)-1-piperidyl] tert-butyl carbonate CAS Name: carbonic acid [3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)-1-piperidinyl] tert-butyl ester IUPAC Name: [3-(1-benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidin-1-yl] tert-butyl carbonate Traditional Name: carbonic acid [3-(benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidino] tert-butyl ester Formula: C25H28FNO4S MolecularWeight: 457.557523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC(C(C1)OCC2=CC3=C(C=C2)SC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC(C(C1)OCC2=CC3=C(C=C2)SC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FNO4S/c1-25(2,3)30-24(28)31-27-12-10-21(18-5-7-20(26)8-6-18)22(15-27)29-16-17-4-9-23-19(14-17)11-13-32-23/h4-9,11,13-14,21-22H,10,12,15-16H2,1-3H3