2-[5-oxidanyl-3-(2-phenoxyethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-2-yl]ethanoic acid

Systemtic Name: 2-[5-oxidanyl-3-(2-phenoxyethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-2-yl]ethanoic acid Openeye Name: 2-[6-allyl-5-hydroxy-3-(2-phenoxyethyl)-2,3-dihydrobenzofuran-2-yl]acetic acid CAS Name: 2-[5-hydroxy-3-(2-phenoxyethyl)-6-prop-2-enyl-2,3-dihydrobenzofuran-2-yl]acetic acid IUPAC Name: 2-[5-hydroxy-3-(2-phenoxyethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-2-yl]acetic acid Traditional Name: 2-[6-allyl-5-hydroxy-3-(2-phenoxyethyl)coumaran-2-yl]acetic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=C2C(C(OC2=C1)CC(=O)O)CCOC3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=C(C=C2C(C(OC2=C1)CC(=O)O)CCOC3=CC=CC=C3)O

InChI

InChI=1S/C21H22O5/c1-2-6-14-11-19-17(12-18(14)22)16(20(26-19)13-21(23)24)9-10-25-15-7-4-3-5-8-15/h2-5,7-8,11-12,16,20,22H,1,6,9-10,13H2,(H,23,24)