methyl 3-oxidanyl-3-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]propanoate

Systemtic Name: methyl 3-oxidanyl-3-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]propanoate Openeye Name: methyl 3-hydroxy-3-[4-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenyl]propanoate CAS Name: 3-hydroxy-3-[4-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-3-[4-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenyl]propanoate Traditional Name: 3-hydroxy-3-[4-[(E)-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenyl]propionic acid methyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)C=CC(=O)NCC2=CN=CC=C2)O

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)/C=C/C(=O)NCC2=CN=CC=C2)O

InChI

InChI=1S/C19H20N2O4/c1-25-19(24)11-17(22)16-7-4-14(5-8-16)6-9-18(23)21-13-15-3-2-10-20-12-15/h2-10,12,17,22H,11,13H2,1H3,(H,21,23)/b9-6+