[2-methyl-4-(phenylcarbonyl)phenyl] 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: [2-methyl-4-(phenylcarbonyl)phenyl] 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (4-benzoyl-2-methyl-phenyl) 4-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)butanoic acid (4-benzoyl-2-methylphenyl) ester IUPAC Name: (4-benzoyl-2-methylphenyl) 4-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butyric acid (4-benzoyl-2-methyl-phenyl) ester Formula: C26H25ClO4 MolecularWeight: 436.9273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)OC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H25ClO4/c1-17-14-21(26(29)20-8-5-4-6-9-20)11-12-23(17)31-24(28)10-7-13-30-22-15-18(2)25(27)19(3)16-22/h4-6,8-9,11-12,14-16H,7,10,13H2,1-3H3