2-[(2E)-2-[2-(4-cyano-6-ethyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentyl]ethanoic acid

Systemtic Name: 2-[(2E)-2-[2-(4-cyano-6-ethyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentyl]ethanoic acid Openeye Name: 2-[(2E)-2-[2-(4-cyano-6-ethyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclopentyl]acetic acid CAS Name: 2-[(2E)-2-[2-(4-cyano-6-ethyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclopentyl]acetic acid IUPAC Name: 2-[(2E)-2-[2-(4-cyano-6-ethyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclopentyl]acetic acid Traditional Name: 2-[(2E)-2-[2-(4-cyano-6-ethyl-3-keto-7-methyl-phthalan-5-yl)ethylidene]cyclopentyl]acetic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1C)COC2=O)C#N)CC=C3CCCC3CC(=O)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1C)COC2=O)C#N)C/C=C/3\CCCC3CC(=O)O

InChI

InChI=1S/C21H23NO4/c1-3-15-12(2)18-11-26-21(25)20(18)17(10-22)16(15)8-7-13-5-4-6-14(13)9-19(23)24/h7,14H,3-6,8-9,11H2,1-2H3,(H,23,24)/b13-7+