2-[2-(4-propanoyl-2,6-dipropyl-phenoxy)pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-(4-propanoyl-2,6-dipropyl-phenoxy)pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-(4-propanoyl-2,6-dipropyl-phenoxy)-3-pyridyl]acetic acid CAS Name: 2-[2-[4-(1-oxopropyl)-2,6-dipropylphenoxy]-3-pyridinyl]acetic acid IUPAC Name: 2-[2-(4-propanoyl-2,6-dipropylphenoxy)pyridin-3-yl]acetic acid Traditional Name: 2-[2-(4-propionyl-2,6-dipropyl-phenoxy)-3-pyridyl]acetic acid Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC2=C(C=CC=N2)CC(=O)O)CCC)C(=O)CC

Isomeric SMILES

CCCC1=CC(=CC(=C1OC2=C(C=CC=N2)CC(=O)O)CCC)C(=O)CC

InChI

InChI=1S/C22H27NO4/c1-4-8-15-12-18(19(24)6-3)13-16(9-5-2)21(15)27-22-17(14-20(25)26)10-7-11-23-22/h7,10-13H,4-6,8-9,14H2,1-3H3,(H,25,26)