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

Systemtic Name: 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1-oxidanyl-1-pyridin-3-yl-ethyl)phenyl]propanoic acid Openeye Name: 3-[3-(3-ethoxy-3-oxo-propyl)-5-[1-hydroxy-1-(3-pyridyl)ethyl]phenyl]propanoic acid CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-[1-hydroxy-1-(3-pyridinyl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(1-hydroxy-1-pyridin-3-ylethyl)phenyl]propanoic acid Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-[1-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(C)(C2=CN=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-3-27-20(25)9-7-16-11-15(6-8-19(23)24)12-18(13-16)21(2,26)17-5-4-10-22-14-17/h4-5,10-14,26H,3,6-9H2,1-2H3,(H,23,24)