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

Systemtic Name: 4-[3-(5-oxidanyl-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propoxy]benzoic acid Openeye Name: 4-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propoxy]benzoic acid CAS Name: 4-[3-(5-hydroxy-2-phenethyl-2,3-dihydrobenzofuran-6-yl)propoxy]benzoic acid IUPAC Name: 4-[3-(5-hydroxy-2-phenethyl-2,3-dihydro-1-benzofuran-6-yl)propoxy]benzoic acid Traditional Name: 4-[3-(5-hydroxy-2-phenethyl-coumaran-6-yl)propoxy]benzoic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O5/c27-24-16-21-15-23(11-8-18-5-2-1-3-6-18)31-25(21)17-20(24)7-4-14-30-22-12-9-19(10-13-22)26(28)29/h1-3,5-6,9-10,12-13,16-17,23,27H,4,7-8,11,14-15H2,(H,28,29)