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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-[4-(4-pyridylmethoxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[4-(4-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=C(C=C2)OCC3=CC=NC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=NC=C3)/C#N

InChI

InChI=1S/C25H21N3O4/c1-2-31-25(30)20-5-7-22(8-6-20)28-24(29)21(16-26)15-18-3-9-23(10-4-18)32-17-19-11-13-27-14-12-19/h3-15H,2,17H2,1H3,(H,28,29)/b21-15+