tert-butyl [4-(4-fluorophenyl)-3-(isoquinolin-6-ylmethoxy)piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [4-(4-fluorophenyl)-3-(isoquinolin-6-ylmethoxy)piperidin-1-yl] carbonate Openeye Name: tert-butyl [4-(4-fluorophenyl)-3-(6-isoquinolylmethoxy)-1-piperidyl] carbonate CAS Name: carbonic acid tert-butyl [4-(4-fluorophenyl)-3-(6-isoquinolinylmethoxy)-1-piperidinyl] ester IUPAC Name: tert-butyl [4-(4-fluorophenyl)-3-(isoquinolin-6-ylmethoxy)piperidin-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [4-(4-fluorophenyl)-3-(6-isoquinolylmethoxy)piperidino] ester Formula: C26H29FN2O4 MolecularWeight: 452.517863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O4/c1-26(2,3)32-25(30)33-29-13-11-23(19-6-8-22(27)9-7-19)24(16-29)31-17-18-4-5-21-15-28-12-10-20(21)14-18/h4-10,12,14-15,23-24H,11,13,16-17H2,1-3H3