3-[3-(4-cyanobutoxy)-2-ethyl-5-oxidanyl-phenyl]-2-oxidanylidene-hexanoic acid

Systemtic Name: 3-[3-(4-cyanobutoxy)-2-ethyl-5-oxidanyl-phenyl]-2-oxidanylidene-hexanoic acid Openeye Name: 3-[3-(4-cyanobutoxy)-2-ethyl-5-hydroxy-phenyl]-2-oxo-hexanoic acid CAS Name: 3-[3-(4-cyanobutoxy)-2-ethyl-5-hydroxyphenyl]-2-oxohexanoic acid IUPAC Name: 3-[3-(4-cyanobutoxy)-2-ethyl-5-hydroxyphenyl]-2-oxohexanoic acid Traditional Name: 3-[3-(4-cyanobutoxy)-2-ethyl-5-hydroxy-phenyl]-2-keto-hexanoic acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC(=C1CC)OCCCCC#N)O)C(=O)C(=O)O

Isomeric SMILES

CCCC(C1=CC(=CC(=C1CC)OCCCCC#N)O)C(=O)C(=O)O

InChI

InChI=1S/C19H25NO5/c1-3-8-15(18(22)19(23)24)16-11-13(21)12-17(14(16)4-2)25-10-7-5-6-9-20/h11-12,15,21H,3-8,10H2,1-2H3,(H,23,24)