4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-phenethyl-pentanoic acid

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-phenethyl-pentanoic acid Openeye Name: 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-phenethyl-pentanoic acid CAS Name: 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-phenethylpentanoic acid IUPAC Name: 4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-phenethylpentanoic acid Traditional Name: 4-coumaran-7-yl-2-hydroxy-4-methyl-2-phenethyl-valeric acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CCC1=CC=CC=C1)(C(=O)O)O)C2=CC=CC3=C2OCC3

Isomeric SMILES

CC(C)(CC(CCC1=CC=CC=C1)(C(=O)O)O)C2=CC=CC3=C2OCC3

InChI

InChI=1S/C22H26O4/c1-21(2,18-10-6-9-17-12-14-26-19(17)18)15-22(25,20(23)24)13-11-16-7-4-3-5-8-16/h3-10,25H,11-15H2,1-2H3,(H,23,24)