1-[7-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2-ethyl-1-benzofuran-4-yl]-2-phenyl-ethanone

Systemtic Name: 1-[7-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2-ethyl-1-benzofuran-4-yl]-2-phenyl-ethanone Openeye Name: 1-[2-ethyl-7-[2-hydroxy-3-(sec-butylamino)propoxy]benzofuran-4-yl]-2-phenyl-ethanone CAS Name: 1-[7-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2-ethyl-4-benzofuranyl]-2-phenylethanone IUPAC Name: 1-[7-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2-ethyl-1-benzofuran-4-yl]-2-phenylethanone Traditional Name: 1-[2-ethyl-7-[2-hydroxy-3-(sec-butylamino)propoxy]benzofuran-4-yl]-2-phenyl-ethanone Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=CC(=C2O1)OCC(CNC(C)CC)O)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=CC(=C2O1)OCC(CNC(C)CC)O)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4/c1-4-17(3)26-15-19(27)16-29-24-12-11-21(22-14-20(5-2)30-25(22)24)23(28)13-18-9-7-6-8-10-18/h6-12,14,17,19,26-27H,4-5,13,15-16H2,1-3H3