3-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]-N-propyl-benzamide

Systemtic Name: 3-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoylamino]-N-propyl-benzamide Openeye Name: 3-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]-N-propyl-benzamide CAS Name: 3-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]-N-propylbenzamide Traditional Name: 3-[[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]amino]-N-propyl-benzamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)C#N)OCC

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)C#N)OCC

InChI

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