4-(1-benzofuran-7-yl)-2-(cyclohexylmethyl)-4-methyl-2-oxidanyl-pentanoic acid

Systemtic Name: 4-(1-benzofuran-7-yl)-2-(cyclohexylmethyl)-4-methyl-2-oxidanyl-pentanoic acid Openeye Name: 4-(benzofuran-7-yl)-2-(cyclohexylmethyl)-2-hydroxy-4-methyl-pentanoic acid CAS Name: 4-(7-benzofuranyl)-2-(cyclohexylmethyl)-2-hydroxy-4-methylpentanoic acid IUPAC Name: 4-(1-benzofuran-7-yl)-2-(cyclohexylmethyl)-2-hydroxy-4-methylpentanoic acid Traditional Name: 4-(benzofuran-7-yl)-2-(cyclohexylmethyl)-2-hydroxy-4-methyl-valeric acid Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1CCCCC1)(C(=O)O)O)C2=CC=CC3=C2OC=C3

Isomeric SMILES

CC(C)(CC(CC1CCCCC1)(C(=O)O)O)C2=CC=CC3=C2OC=C3

InChI

InChI=1S/C21H28O4/c1-20(2,17-10-6-9-16-11-12-25-18(16)17)14-21(24,19(22)23)13-15-7-4-3-5-8-15/h6,9-12,15,24H,3-5,7-8,13-14H2,1-2H3,(H,22,23)