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

Systemtic Name: N-[4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]phenyl]butanamide Openeye Name: N-[4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]phenyl]butanamide CAS Name: N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]phenyl]butanamide IUPAC Name: N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide Traditional Name: N-[4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]phenyl]butyramide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3/c1-5-6-19(25)23-17-7-9-18(10-8-17)24-21(26)15(4)27-20-13(2)11-16(22)12-14(20)3/h7-12,15H,5-6H2,1-4H3,(H,23,25)(H,24,26)