[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C=CC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)/C=C/C2=CC=CC=C2)C)C

InChI

InChI=1S/C21H22O3/c1-14-12-16(3)19(13-15(14)2)21(23)17(4)24-20(22)11-10-18-8-6-5-7-9-18/h5-13,17H,1-4H3/b11-10+