[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: [4-[(4-methylphenyl)carbamoyl]phenyl] 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: [4-(p-tolylcarbamoyl)phenyl] 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylphenyl)carbamoyl]phenyl] 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid [4-(p-tolylcarbamoyl)phenyl] ester Formula: C26H25BrClNO4 MolecularWeight: 530.838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCCOC3=C(C(=C(C(=C3)C)Cl)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCCOC3=C(C(=C(C(=C3)C)Cl)C)Br

InChI

InChI=1S/C26H25BrClNO4/c1-16-6-10-20(11-7-16)29-26(31)19-8-12-21(13-9-19)33-23(30)5-4-14-32-22-15-17(2)25(28)18(3)24(22)27/h6-13,15H,4-5,14H2,1-3H3,(H,29,31)