[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3/c1-12-9-14(3)18(10-13(12)2)19(22)15(4)24-20(23)17-7-5-16(11-21)6-8-17/h5-10,15H,1-4H3