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

Systemtic Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]phenoxy]acetic acid CAS Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-1,4-dioxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(4-cyanophenyl)-2-methyl-4-oxobutanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]phenoxy]acetic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)C2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C20H17NO5/c1-13(10-18(22)15-4-2-14(11-21)3-5-15)20(25)16-6-8-17(9-7-16)26-12-19(23)24/h2-9,13H,10,12H2,1H3,(H,23,24)