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

Systemtic Name: 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-N-butyl-benzamide Openeye Name: 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-N-butyl-benzamide CAS Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-N-butylbenzamide IUPAC Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N-butylbenzamide Traditional Name: 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-N-butyl-benzamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H25BrN2O3/c1-4-5-10-23-21(26)16-6-8-18(9-7-16)24-19(25)13-27-20-14(2)11-17(22)12-15(20)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,26)(H,24,25)