2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]propanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]propanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]propanamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]propanamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]propanamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[3-(hydrocinnamoylamino)phenyl]propionamide Formula: C26H27BrN2O3 MolecularWeight: 495.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C26H27BrN2O3/c1-17-14-21(27)15-18(2)25(17)32-19(3)26(31)29-23-11-7-10-22(16-23)28-24(30)13-12-20-8-5-4-6-9-20/h4-11,14-16,19H,12-13H2,1-3H3,(H,28,30)(H,29,31)