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

Systemtic Name: 5-[4-(4-cyanobutoxy)-2-methoxy-5-prop-2-enyl-phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-allyl-4-(4-cyanobutoxy)-2-methoxy-phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-(4-cyanobutoxy)-2-methoxy-5-prop-2-enylphenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(4-cyanobutoxy)-2-methoxy-5-prop-2-enylphenyl]-5-oxopentanoic acid Traditional Name: 5-[5-allyl-4-(4-cyanobutoxy)-2-methoxy-phenyl]-5-keto-valeric acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CCCC(=O)O)CC=C)OCCCCC#N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CCCC(=O)O)CC=C)OCCCCC#N

InChI

InChI=1S/C20H25NO5/c1-3-8-15-13-16(17(22)9-7-10-20(23)24)19(25-2)14-18(15)26-12-6-4-5-11-21/h3,13-14H,1,4-10,12H2,2H3,(H,23,24)