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

Systemtic Name: 2-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-pentanoic acid Openeye Name: 2-[(2-chlorophenyl)methyl]-4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-pentanoic acid CAS Name: 2-[(2-chlorophenyl)methyl]-4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methylpentanoic acid IUPAC Name: 2-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methylpentanoic acid Traditional Name: 2-(2-chlorobenzyl)-4-coumaran-7-yl-2-hydroxy-4-methyl-valeric acid Formula: C21H23ClO4 MolecularWeight: 374.85792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=CC=CC=C1Cl)(C(=O)O)O)C2=CC=CC3=C2OCC3

Isomeric SMILES

CC(C)(CC(CC1=CC=CC=C1Cl)(C(=O)O)O)C2=CC=CC3=C2OCC3

InChI

InChI=1S/C21H23ClO4/c1-20(2,16-8-5-7-14-10-11-26-18(14)16)13-21(25,19(23)24)12-15-6-3-4-9-17(15)22/h3-9,25H,10-13H2,1-2H3,(H,23,24)