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

Systemtic Name: N-[4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]phenyl]-3-methyl-butyramide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)C)Br

InChI

InChI=1S/C22H27BrN2O3/c1-13(2)10-20(26)24-18-6-8-19(9-7-18)25-22(27)16(5)28-21-14(3)11-17(23)12-15(21)4/h6-9,11-13,16H,10H2,1-5H3,(H,24,26)(H,25,27)