4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanamide CAS Name: N-(3-acetylphenyl)-4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanamide IUPAC Name: N-(3-acetylphenyl)-4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanamide Traditional Name: N-(3-acetylphenyl)-4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyramide Formula: C20H21BrClNO3 MolecularWeight: 438.74264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C20H21BrClNO3/c1-12-10-17(19(21)13(2)20(12)22)26-9-5-8-18(25)23-16-7-4-6-15(11-16)14(3)24/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,23,25)