tert-butyl 1-[4-[[4-(4-fluoranyl-2-methyl-phenoxy)piperidin-1-yl]methyl]piperidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 1-[4-[[4-(4-fluoranyl-2-methyl-phenoxy)piperidin-1-yl]methyl]piperidin-1-yl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 1-[4-[[4-(4-fluoro-2-methyl-phenoxy)-1-piperidyl]methyl]-1-piperidyl]cyclohexanecarboxylate CAS Name: 1-[4-[[4-(4-fluoro-2-methylphenoxy)-1-piperidinyl]methyl]-1-piperidinyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]cyclohexane-1-carboxylate Traditional Name: 1-[4-[[4-(4-fluoro-2-methyl-phenoxy)piperidino]methyl]piperidino]cyclohexanecarboxylic acid tert-butyl ester Formula: C29H45FN2O3 MolecularWeight: 488.677603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)OC2CCN(CC2)CC3CCN(CC3)C4(CCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)OC2CCN(CC2)CC3CCN(CC3)C4(CCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H45FN2O3/c1-22-20-24(30)8-9-26(22)34-25-12-16-31(17-13-25)21-23-10-18-32(19-11-23)29(14-6-5-7-15-29)27(33)35-28(2,3)4/h8-9,20,23,25H,5-7,10-19,21H2,1-4H3