(3Z)-3-[2-[(E)-3-ethoxy-2-oxidanyl-3-oxidanylidene-prop-1-enyl]-3-methyl-2,3-dihydro-1H-pyridin-4-ylidene]-2-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: (3Z)-3-[2-[(E)-3-ethoxy-2-oxidanyl-3-oxidanylidene-prop-1-enyl]-3-methyl-2,3-dihydro-1H-pyridin-4-ylidene]-2-oxidanylidene-4-phenyl-butanoic acid Openeye Name: (3Z)-3-[2-[(E)-3-ethoxy-2-hydroxy-3-oxo-prop-1-enyl]-3-methyl-2,3-dihydro-1H-pyridin-4-ylidene]-2-oxo-4-phenyl-butanoic acid CAS Name: (3Z)-3-[2-[(E)-3-ethoxy-2-hydroxy-3-oxoprop-1-enyl]-3-methyl-2,3-dihydro-1H-pyridin-4-ylidene]-2-oxo-4-phenylbutanoic acid IUPAC Name: (3Z)-3-[2-[(E)-3-ethoxy-2-hydroxy-3-oxoprop-1-enyl]-3-methyl-2,3-dihydro-1H-pyridin-4-ylidene]-2-oxo-4-phenylbutanoic acid Traditional Name: (3Z)-3-[2-[(E)-3-ethoxy-2-hydroxy-3-keto-prop-1-enyl]-3-methyl-2,3-dihydro-1H-pyridin-4-ylidene]-2-keto-4-phenyl-butyric acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C(C(=C(CC2=CC=CC=C2)C(=O)C(=O)O)C=CN1)C)O

Isomeric SMILES

CCOC(=O)/C(=C\C1C(/C(=C(/CC2=CC=CC=C2)\C(=O)C(=O)O)/C=CN1)C)/O

InChI

InChI=1S/C21H23NO6/c1-3-28-21(27)18(23)12-17-13(2)15(9-10-22-17)16(19(24)20(25)26)11-14-7-5-4-6-8-14/h4-10,12-13,17,22-23H,3,11H2,1-2H3,(H,25,26)/b16-15-,18-12+