(Z)-2-cyano-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]prop-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]prop-2-enoic acid Openeye Name: (Z)-2-cyano-3-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]prop-2-enoic acid CAS Name: (Z)-2-cyano-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-propenoic acid IUPAC Name: (Z)-2-cyano-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]prop-2-enoic acid Traditional Name: (Z)-3-[4-(4-tert-amylphenoxy)phenyl]-2-cyano-acrylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C=C(C#N)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)/C=C(/C#N)\C(=O)O

InChI

InChI=1S/C21H21NO3/c1-4-21(2,3)17-7-11-19(12-8-17)25-18-9-5-15(6-10-18)13-16(14-22)20(23)24/h5-13H,4H2,1-3H3,(H,23,24)/b16-13-