3-[4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenyl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenyl]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]phenyl]-3-(3-pyridyl)propanoic acid CAS Name: 3-[4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenyl]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[4-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]phenyl]-3-(3-pyridyl)propionic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1=CC=C(C=C1)C(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1=CC=C(C=C1)C(CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C20H21NO4/c1-3-25-20(24)11-14(2)15-6-8-16(9-7-15)18(12-19(22)23)17-5-4-10-21-13-17/h4-11,13,18H,3,12H2,1-2H3,(H,22,23)/b14-11+