4-[3-(4-cyanobutoxy)-2-oxidanyl-5-prop-2-enyl-phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[3-(4-cyanobutoxy)-2-oxidanyl-5-prop-2-enyl-phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[5-allyl-3-(4-cyanobutoxy)-2-hydroxy-phenyl]-5-oxo-pentanoic acid CAS Name: 4-[3-(4-cyanobutoxy)-2-hydroxy-5-prop-2-enylphenyl]-5-oxopentanoic acid IUPAC Name: 4-[3-(4-cyanobutoxy)-2-hydroxy-5-prop-2-enylphenyl]-5-oxopentanoic acid Traditional Name: 4-[5-allyl-3-(4-cyanobutoxy)-2-hydroxy-phenyl]-5-keto-valeric acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=C(C(=C1)OCCCCC#N)O)C(CCC(=O)O)C=O

Isomeric SMILES

C=CCC1=CC(=C(C(=C1)OCCCCC#N)O)C(CCC(=O)O)C=O

InChI

InChI=1S/C19H23NO5/c1-2-6-14-11-16(15(13-21)7-8-18(22)23)19(24)17(12-14)25-10-5-3-4-9-20/h2,11-13,15,24H,1,3-8,10H2,(H,22,23)