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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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