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

Systemtic Name: 1-[4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[4-(coumaran-5-ylmethyl)piperazino]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-2-24(29)20-4-6-23(7-5-20)31-18-22(28)17-27-12-10-26(11-13-27)16-19-3-8-25-21(15-19)9-14-30-25/h3-8,15,22,28H,2,9-14,16-18H2,1H3