2-[[2-phenethyl-6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-phenethyl-6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-yl]oxy]ethanoic acid Openeye Name: 2-[[2-phenethyl-6-(3-phenoxypropyl)-2,3-dihydrobenzofuran-5-yl]oxy]acetic acid CAS Name: 2-[[2-phenethyl-6-(3-phenoxypropyl)-2,3-dihydrobenzofuran-5-yl]oxy]acetic acid IUPAC Name: 2-[[2-phenethyl-6-(3-phenoxypropyl)-2,3-dihydro-1-benzofuran-5-yl]oxy]acetic acid Traditional Name: 2-[2-phenethyl-6-(3-phenoxypropyl)coumaran-5-yl]oxyacetic acid Formula: C27H28O5 MolecularWeight: 432.50822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC(=C(C=C21)OCC(=O)O)CCCOC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC(=C(C=C21)OCC(=O)O)CCCOC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28O5/c28-27(29)19-31-25-18-22-16-24(14-13-20-8-3-1-4-9-20)32-26(22)17-21(25)10-7-15-30-23-11-5-2-6-12-23/h1-6,8-9,11-12,17-18,24H,7,10,13-16,19H2,(H,28,29)