2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]phenoxy]butanoic acid

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]phenoxy]butanoic acid Openeye Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]phenoxy]butanoic acid CAS Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-1,4-dioxobutyl]phenoxy]butanoic acid IUPAC Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxobutanoyl]phenoxy]butanoic acid Traditional Name: 2-[4-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]phenoxy]butyric acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H21NO5/c1-3-20(22(26)27)28-18-10-8-17(9-11-18)21(25)14(2)12-19(24)16-6-4-15(13-23)5-7-16/h4-11,14,20H,3,12H2,1-2H3,(H,26,27)