3-bromanyl-4-hexoxy-N-[3-(propanoylamino)phenyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[3-(propanoylamino)phenyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[3-(propanoylamino)phenyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[3-(propanoylamino)phenyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-(3-propionamidophenyl)benzamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CC)Br

InChI

InChI=1S/C22H27BrN2O3/c1-3-5-6-7-13-28-20-12-11-16(14-19(20)23)22(27)25-18-10-8-9-17(15-18)24-21(26)4-2/h8-12,14-15H,3-7,13H2,1-2H3,(H,24,26)(H,25,27)