5-bromanyl-N-[4-(3-methylbutanoylamino)phenyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(3-methylbutanoylamino)phenyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[4-(3-methylbutanoylamino)phenyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[4-(3-methylbutanoylamino)phenyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[4-(isovalerylamino)phenyl]-2-phenethyloxy-benzamide Formula: C26H27BrN2O3 MolecularWeight: 495.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O3/c1-18(2)16-25(30)28-21-9-11-22(12-10-21)29-26(31)23-17-20(27)8-13-24(23)32-15-14-19-6-4-3-5-7-19/h3-13,17-18H,14-16H2,1-2H3,(H,28,30)(H,29,31)