2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N

InChI

InChI=1S/C22H21NO4/c1-22(2,3)18-10-8-15(9-11-18)21(26)17(13-23)12-16-6-4-5-7-19(16)27-14-20(24)25/h4-12H,14H2,1-3H3,(H,24,25)/b17-12+