2-benzamido-3-[4-(2-bromanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[4-(2-bromanylphenoxy)phenyl]propanoic acid Openeye Name: 2-benzamido-3-[4-(2-bromophenoxy)phenyl]propanoic acid CAS Name: 2-benzamido-3-[4-(2-bromophenoxy)phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[4-(2-bromophenoxy)phenyl]propanoic acid Traditional Name: 2-benzamido-3-[4-(2-bromophenoxy)phenyl]propionic acid Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C22H18BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-13,19H,14H2,(H,24,25)(H,26,27)