tert-butyl N-[1-[4-(4-fluorophenyl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-(4-fluorophenyl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(4-fluorophenyl)-4-hydroxy-cyclohexyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[4-(4-fluorophenyl)-4-hydroxy-cyclohexyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C21H31FN2O3 MolecularWeight: 378.480843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2CCC(CC2)(C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C2CCC(CC2)(C3=CC=C(C=C3)F)O

InChI

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