5-bromanyl-2-butoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[4-methyl-3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-(4-methyl-3-propionamido-phenyl)benzamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=C(C=C2)C)NC(=O)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=C(C=C2)C)NC(=O)CC

InChI

InChI=1S/C21H25BrN2O3/c1-4-6-11-27-19-10-8-15(22)12-17(19)21(26)23-16-9-7-14(3)18(13-16)24-20(25)5-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)(H,24,25)