5-bromanyl-2-(3-phenylpropanoylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(3-phenylpropanoylamino)benzoic acid Openeye Name: 5-bromo-2-(3-phenylpropanoylamino)benzoic acid CAS Name: 5-bromo-2-[(1-oxo-3-phenylpropyl)amino]benzoic acid IUPAC Name: 5-bromo-2-(3-phenylpropanoylamino)benzoic acid Traditional Name: 5-bromo-2-(hydrocinnamoylamino)benzoic acid Formula: C16H14BrNO3 MolecularWeight: 348.19126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H14BrNO3/c17-12-7-8-14(13(10-12)16(20)21)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)(H,20,21)