3-[2-(4-cyanobutoxy)-6-ethyl-3-oxidanyl-phenyl]-2-oxidanylidene-hexanoic acid

Systemtic Name: 3-[2-(4-cyanobutoxy)-6-ethyl-3-oxidanyl-phenyl]-2-oxidanylidene-hexanoic acid Openeye Name: 3-[2-(4-cyanobutoxy)-6-ethyl-3-hydroxy-phenyl]-2-oxo-hexanoic acid CAS Name: 3-[2-(4-cyanobutoxy)-6-ethyl-3-hydroxyphenyl]-2-oxohexanoic acid IUPAC Name: 3-[2-(4-cyanobutoxy)-6-ethyl-3-hydroxyphenyl]-2-oxohexanoic acid Traditional Name: 3-[2-(4-cyanobutoxy)-6-ethyl-3-hydroxy-phenyl]-2-keto-hexanoic acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1OCCCCC#N)O)CC)C(=O)C(=O)O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1OCCCCC#N)O)CC)C(=O)C(=O)O

InChI

InChI=1S/C19H25NO5/c1-3-8-14(17(22)19(23)24)16-13(4-2)9-10-15(21)18(16)25-12-7-5-6-11-20/h9-10,14,21H,3-8,12H2,1-2H3,(H,23,24)