3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(2-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(2-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoic acid Openeye Name: 3-[3-(3-ethoxy-3-oxo-propyl)-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propanoic acid CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-[2-hydroxy-1-(3-pyridinyl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(2-hydroxy-1-pyridin-3-ylethyl)phenyl]propanoic acid Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)C(CO)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)C(CO)C2=CN=CC=C2

InChI

InChI=1S/C21H25NO5/c1-2-27-21(26)8-6-16-10-15(5-7-20(24)25)11-18(12-16)19(14-23)17-4-3-9-22-13-17/h3-4,9-13,19,23H,2,5-8,14H2,1H3,(H,24,25)