tert-butyl 4-[4-(4-fluorophenyl)-4-oxidanyl-cyclohexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-fluorophenyl)-4-oxidanyl-cyclohexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-fluorophenyl)-4-hydroxy-cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-4-hydroxy-cyclohexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31FN2O3 MolecularWeight: 378.480843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H31FN2O3/c1-20(2,3)27-19(25)24-14-12-23(13-15-24)18-8-10-21(26,11-9-18)16-4-6-17(22)7-5-16/h4-7,18,26H,8-15H2,1-3H3