4-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propoxy]benzoic acid

Systemtic Name: 4-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propoxy]benzoic acid Openeye Name: 4-[3-(5-benzyloxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propoxy]benzoic acid CAS Name: 4-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydrobenzofuran-6-yl)propoxy]benzoic acid IUPAC Name: 4-[3-(2-phenethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)propoxy]benzoic acid Traditional Name: 4-[3-(5-benzoxy-2-phenethyl-coumaran-6-yl)propoxy]benzoic acid Formula: C33H32O5 MolecularWeight: 508.60418

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3)CCCOC4=CC=C(C=C4)C(=O)O)CCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3)CCCOC4=CC=C(C=C4)C(=O)O)CCC5=CC=CC=C5

InChI

InChI=1S/C33H32O5/c34-33(35)26-14-17-29(18-15-26)36-19-7-12-27-21-32-28(22-31(27)37-23-25-10-5-2-6-11-25)20-30(38-32)16-13-24-8-3-1-4-9-24/h1-6,8-11,14-15,17-18,21-22,30H,7,12-13,16,19-20,23H2,(H,34,35)