5,7-dimethoxy-3-[2-[6-(4-phenylpiperidin-1-yl)hexylsulfanyl]ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 5,7-dimethoxy-3-[2-[6-(4-phenylpiperidin-1-yl)hexylsulfanyl]ethyl]-3H-2-benzofuran-1-one Openeye Name: 5,7-dimethoxy-3-[2-[6-(4-phenyl-1-piperidyl)hexylsulfanyl]ethyl]-3H-isobenzofuran-1-one CAS Name: 5,7-dimethoxy-3-[2-[6-(4-phenyl-1-piperidinyl)hexylthio]ethyl]-3H-isobenzofuran-1-one IUPAC Name: 5,7-dimethoxy-3-[2-[6-(4-phenylpiperidin-1-yl)hexylsulfanyl]ethyl]-3H-2-benzofuran-1-one Traditional Name: 5,7-dimethoxy-3-[2-[6-(4-phenylpiperidino)hexylthio]ethyl]phthalide Formula: C29H39NO4S MolecularWeight: 497.68926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(OC2=O)CCSCCCCCCN3CCC(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C(OC2=O)CCSCCCCCCN3CCC(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H39NO4S/c1-32-24-20-25-26(34-29(31)28(25)27(21-24)33-2)14-19-35-18-9-4-3-8-15-30-16-12-23(13-17-30)22-10-6-5-7-11-22/h5-7,10-11,20-21,23,26H,3-4,8-9,12-19H2,1-2H3