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

Systemtic Name: N-[4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]phenyl]-3-methyl-butyramide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)C)Br

InChI

InChI=1S/C21H25BrN2O3/c1-13(2)9-19(25)23-17-5-7-18(8-6-17)24-20(26)12-27-21-14(3)10-16(22)11-15(21)4/h5-8,10-11,13H,9,12H2,1-4H3,(H,23,25)(H,24,26)