3-[3-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)cyclopenten-1-yl]propanoic acid

Systemtic Name: 3-[3-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)cyclopenten-1-yl]propanoic acid Openeye Name: 3-[3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)cyclopenten-1-yl]propanoic acid CAS Name: 3-[3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-cyclopentenyl]propanoic acid IUPAC Name: 3-[3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)cyclopenten-1-yl]propanoic acid Traditional Name: 3-[3-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)cyclopenten-1-yl]propionic acid Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1C3CCC(=C3)CCC(=O)O)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C3CCC(=C3)CCC(=O)O)O)C(=O)OC2)C

InChI

InChI=1S/C19H22O5/c1-3-13-10(2)14-9-24-19(23)17(14)18(22)16(13)12-6-4-11(8-12)5-7-15(20)21/h8,12,22H,3-7,9H2,1-2H3,(H,20,21)