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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)CCC(=O)N(C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)CCC(=O)N(C)C)Br

InChI

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