2-[3-methoxy-2-pentoxy-6-(2-pyridin-4-ylethylcarbamoyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-methoxy-2-pentoxy-6-(2-pyridin-4-ylethylcarbamoyl)phenyl]ethanoic acid Openeye Name: 2-[3-methoxy-2-pentoxy-6-[2-(4-pyridyl)ethylcarbamoyl]phenyl]acetic acid CAS Name: 2-[3-methoxy-6-[oxo-(2-pyridin-4-ylethylamino)methyl]-2-pentoxyphenyl]acetic acid IUPAC Name: 2-[3-methoxy-2-pentoxy-6-(2-pyridin-4-ylethylcarbamoyl)phenyl]acetic acid Traditional Name: 2-[2-amoxy-3-methoxy-6-[2-(4-pyridyl)ethylcarbamoyl]phenyl]acetic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1CC(=O)O)C(=O)NCCC2=CC=NC=C2)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1CC(=O)O)C(=O)NCCC2=CC=NC=C2)OC

InChI

InChI=1S/C22H28N2O5/c1-3-4-5-14-29-21-18(15-20(25)26)17(6-7-19(21)28-2)22(27)24-13-10-16-8-11-23-12-9-16/h6-9,11-12H,3-5,10,13-15H2,1-2H3,(H,24,27)(H,25,26)