3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-(3-ethoxy-3-oxo-propyl)-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C20H23NO4/c1-2-25-20(24)8-6-16-10-15(5-7-19(22)23)11-18(12-16)13-17-4-3-9-21-14-17/h3-4,9-12,14H,2,5-8,13H2,1H3,(H,22,23)