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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC(=C2)CCC(=O)N(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=CC(=C2)CCC(=O)N(C)C)C)Br

InChI

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