3-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]propanoic acid Openeye Name: 3-[4-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenyl]propanoic acid CAS Name: 3-[4-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]propanoic acid Traditional Name: 3-[4-[(E)-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenyl]propionic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C=CC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)/C=C/C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H18N2O3/c21-17(20-13-16-2-1-11-19-12-16)9-7-14-3-5-15(6-4-14)8-10-18(22)23/h1-7,9,11-12H,8,10,13H2,(H,20,21)(H,22,23)/b9-7+