2-[[(E)-2-benzamido-3-[4-(2-bromanylphenoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-[4-(2-bromanylphenoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]acryloyl]amino]benzoic acid Formula: C29H21BrN2O5 MolecularWeight: 557.39144

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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)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H21BrN2O5/c30-23-11-5-7-13-26(23)37-21-16-14-19(15-17-21)18-25(32-27(33)20-8-2-1-3-9-20)28(34)31-24-12-6-4-10-22(24)29(35)36/h1-18H,(H,31,34)(H,32,33)(H,35,36)/b25-18+