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

Systemtic Name: 2-[(2E)-2-[2-(6-ethyl-4-isocyanato-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentyl]ethanoic acid Openeye Name: 2-[(2E)-2-[2-(6-ethyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclopentyl]acetic acid CAS Name: 2-[(2E)-2-[2-(6-ethyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclopentyl]acetic acid IUPAC Name: 2-[(2E)-2-[2-(6-ethyl-4-isocyanato-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclopentyl]acetic acid Traditional Name: 2-[(2E)-2-[2-(6-ethyl-4-isocyanato-3-keto-7-methyl-phthalan-5-yl)ethylidene]cyclopentyl]acetic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C3CCCC3CC(=O)O)N=C=O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C/3\CCCC3CC(=O)O)N=C=O)C(=O)OC2)C

InChI

InChI=1S/C21H23NO5/c1-3-15-12(2)17-10-27-21(26)19(17)20(22-11-23)16(15)8-7-13-5-4-6-14(13)9-18(24)25/h7,14H,3-6,8-10H2,1-2H3,(H,24,25)/b13-7+