2-[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C(=CC2=CC=C(C=C2)OCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)O)/C#N

InChI

InChI=1S/C18H15N3O4/c19-9-15(18(24)21-11-14-2-1-7-20-10-14)8-13-3-5-16(6-4-13)25-12-17(22)23/h1-8,10H,11-12H2,(H,21,24)(H,22,23)/b15-8+