4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-N-butan-2-yl-benzamide

Systemtic Name: 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]-N-butan-2-yl-benzamide Openeye Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-N-sec-butyl-benzamide CAS Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]-N-butan-2-ylbenzamide IUPAC Name: 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-butan-2-ylbenzamide Traditional Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]-N-sec-butyl-benzamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C22H27BrN2O3/c1-6-15(4)24-22(27)17-7-9-19(10-8-17)25-21(26)16(5)28-20-13(2)11-18(23)12-14(20)3/h7-12,15-16H,6H2,1-5H3,(H,24,27)(H,25,26)