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

Systemtic Name: 2-[[(E)-2-benzamido-3-[4-(2-bromanylphenoxy)phenyl]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-2-benzamido-3-[4-(2-bromophenoxy)phenyl]acryloyl]amino]acetic acid Formula: C24H19BrN2O5 MolecularWeight: 495.32206

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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)NCC(=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)NCC(=O)O

InChI

InChI=1S/C24H19BrN2O5/c25-19-8-4-5-9-21(19)32-18-12-10-16(11-13-18)14-20(24(31)26-15-22(28)29)27-23(30)17-6-2-1-3-7-17/h1-14H,15H2,(H,26,31)(H,27,30)(H,28,29)/b20-14+