4-[4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[4-(coumaran-5-ylmethyl)piperazino]-2-hydroxy-propoxy]phenyl]butan-2-one Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)O

InChI

InChI=1S/C26H34N2O4/c1-20(29)2-3-21-4-7-25(8-5-21)32-19-24(30)18-28-13-11-27(12-14-28)17-22-6-9-26-23(16-22)10-15-31-26/h4-9,16,24,30H,2-3,10-15,17-19H2,1H3