tert-butyl [3-oxidanyl-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [3-oxidanyl-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidin-1-yl] carbonate Openeye Name: tert-butyl [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]-1-piperidyl] carbonate CAS Name: carbonic acid tert-butyl [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]-1-piperidinyl] ester IUPAC Name: tert-butyl [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidin-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidino] ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC(C(C1)O)C2=CC=C(C=C2)OCC#CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC(C(C1)O)C2=CC=C(C=C2)OCC#CCOC3=CC=CC=C3

InChI

InChI=1S/C26H31NO6/c1-26(2,3)32-25(29)33-27-16-15-23(24(28)19-27)20-11-13-22(14-12-20)31-18-8-7-17-30-21-9-5-4-6-10-21/h4-6,9-14,23-24,28H,15-19H2,1-3H3