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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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