3-bromanyl-4-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[4-(isovalerylamino)phenyl]benzamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3/c1-4-5-12-28-20-11-6-16(14-19(20)23)22(27)25-18-9-7-17(8-10-18)24-21(26)13-15(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)(H,25,27)