N-[3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-4-chloranyl-phenyl]butanamide

Systemtic Name: N-[3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-4-chloranyl-phenyl]butanamide Openeye Name: N-[3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-4-chloro-phenyl]butanamide CAS Name: N-[3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-4-chlorophenyl]butanamide IUPAC Name: N-[3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4-chlorophenyl]butanamide Traditional Name: N-[3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-4-chloro-phenyl]butyramide Formula: C21H24BrClN2O3 MolecularWeight: 467.78386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H24BrClN2O3/c1-5-6-19(26)24-16-7-8-17(23)18(11-16)25-21(27)14(4)28-20-12(2)9-15(22)10-13(20)3/h7-11,14H,5-6H2,1-4H3,(H,24,26)(H,25,27)