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

Systemtic Name: 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-N-(2-diethylaminoethyl)benzamide Formula: C23H30BrN3O3 MolecularWeight: 476.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C23H30BrN3O3/c1-5-27(6-2)12-11-25-23(29)18-7-9-20(10-8-18)26-21(28)15-30-22-16(3)13-19(24)14-17(22)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,25,29)(H,26,28)