(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-cyanobenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)C#N)C)C(C)(C)C

InChI

InChI=1S/C21H23NO2/c1-14-10-18(21(3,4)5)11-15(2)19(14)13-24-20(23)17-8-6-16(12-22)7-9-17/h6-11H,13H2,1-5H3