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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[3-(3-phenylpropanoylamino)phenyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[3-(3-phenylpropanoylamino)phenyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[3-(3-phenylpropanoylamino)phenyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[3-(hydrocinnamoylamino)phenyl]benzamide Formula: C28H31BrN2O3 MolecularWeight: 523.46134

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)CCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H31BrN2O3/c1-2-3-4-8-18-34-26-16-15-22(19-25(26)29)28(33)31-24-13-9-12-23(20-24)30-27(32)17-14-21-10-6-5-7-11-21/h5-7,9-13,15-16,19-20H,2-4,8,14,17-18H2,1H3,(H,30,32)(H,31,33)