5-bromanyl-2-hexoxy-N-[3-(propanoylamino)phenyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[3-(propanoylamino)phenyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[3-(propanoylamino)phenyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[3-(propanoylamino)phenyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-(3-propionamidophenyl)benzamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3/c1-3-5-6-7-13-28-20-12-11-16(23)14-19(20)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)