4-[1-cyano-2-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(5-isopropyl-4-methoxy-2-methyl-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(5-isopropyl-4-methoxy-2-methyl-phenyl)vinyl]benzoic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)C(C)C)OC

InChI

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