4-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-oxidanyl-propyl]phenol

Systemtic Name: 4-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-oxidanyl-propyl]phenol Openeye Name: 4-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-hydroxy-propyl]phenol CAS Name: 4-[3-[6-[2-(1-azepanyl)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-hydroxypropyl]phenol IUPAC Name: 4-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-hydroxypropyl]phenol Traditional Name: 4-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-hydroxy-propyl]phenol Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(CCC4=CC=C(C=C4)O)O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(CCC4=CC=C(C=C4)O)O

InChI

InChI=1S/C27H35NO6/c1-31-24-21-13-17-33-25(21)27(32-2)26(34-18-16-28-14-5-3-4-6-15-28)23(24)22(30)12-9-19-7-10-20(29)11-8-19/h7-8,10-11,13,17,22,29-30H,3-6,9,12,14-16,18H2,1-2H3