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

Systemtic Name: [3-oxidanyl-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidin-1-yl] hydrogen carbonate Openeye Name: [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]-1-piperidyl] hydrogen carbonate CAS Name: carbonic acid [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]-1-piperidinyl] ester IUPAC Name: [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidin-1-yl] hydrogen carbonate Traditional Name: carbonic acid [3-hydroxy-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidino] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCC#CCOC3=CC=CC=C3)O)OC(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCC#CCOC3=CC=CC=C3)O)OC(=O)O

InChI

InChI=1S/C22H23NO6/c24-21-16-23(29-22(25)26)13-12-20(21)17-8-10-19(11-9-17)28-15-5-4-14-27-18-6-2-1-3-7-18/h1-3,6-11,20-21,24H,12-16H2,(H,25,26)