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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-[2-(2-pyridylmethoxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-[2-(2-pyridinylmethoxy)phenyl]prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[2-(2-pyridylmethoxy)phenyl]acryloyl]amino]benzoic acid ethyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=N3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=N3)/C#N

InChI

InChI=1S/C25H21N3O4/c1-2-31-25(30)18-10-12-21(13-11-18)28-24(29)20(16-26)15-19-7-3-4-9-23(19)32-17-22-8-5-6-14-27-22/h3-15H,2,17H2,1H3,(H,28,29)/b20-15+