3-[3-(4-methoxy-4-oxidanylidene-butyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(4-methoxy-4-oxidanylidene-butyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-(4-methoxy-4-oxo-butyl)-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-(4-methoxy-4-oxobutyl)-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-(4-methoxy-4-oxobutyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-(4-keto-4-methoxy-butyl)-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2

InChI

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