2-[[(E)-2-cyano-3-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[2-(2-keto-2-pyrrolidino-ethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=CC=C2C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H21N3O5/c24-14-17(22(28)25-19-9-3-2-8-18(19)23(29)30)13-16-7-1-4-10-20(16)31-15-21(27)26-11-5-6-12-26/h1-4,7-10,13H,5-6,11-12,15H2,(H,25,28)(H,29,30)/b17-13+