(Z)-3-[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (Z)-3-[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (Z)-3-[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (Z)-3-[4-(2-tert-butyl-6-methylphenoxy)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (Z)-3-[4-(2-tert-butyl-6-methylphenoxy)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (Z)-3-[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]-2-cyano-acrylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OC2=CC=C(C=C2)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OC2=CC=C(C=C2)/C=C(/C#N)\C(=O)O

InChI

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