4-[[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[2-(2-pyridylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-1-oxo-3-[2-(2-pyridinylmethoxy)phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[2-(2-pyridylmethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)OCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OCC3=CC=CC=N3

InChI

InChI=1S/C23H17N3O4/c24-14-18(22(27)26-19-10-8-16(9-11-19)23(28)29)13-17-5-1-2-7-21(17)30-15-20-6-3-4-12-25-20/h1-13H,15H2,(H,26,27)(H,28,29)/b18-13+