4-[[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]methyl]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]methyl]-N,N-dimethyl-benzamide Openeye Name: 4-[[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]methyl]-N,N-dimethyl-benzamide CAS Name: 4-[[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]amino]methyl]-N,N-dimethylbenzamide IUPAC Name: 4-[[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide Traditional Name: 4-[[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]methyl]-N,N-dimethyl-benzamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC2=CC=C(C=C2)C(=O)N(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC2=CC=C(C=C2)C(=O)N(C)C

InChI

InChI=1S/C21H22BrN3O4/c1-4-28-18-10-15(11-23)9-17(22)20(18)29-13-19(26)24-12-14-5-7-16(8-6-14)21(27)25(2)3/h5-10H,4,12-13H2,1-3H3,(H,24,26)