[2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenyl-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-phenyl-ethyl] ester Formula: C27H28O3 MolecularWeight: 400.50942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H28O3/c1-18-11-12-22(17-19(18)2)24(28)25(20-9-7-6-8-10-20)30-26(29)21-13-15-23(16-14-21)27(3,4)5/h6-17,25H,1-5H3