2-[2-[6-(4-cyclooctyloxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[6-(4-cyclooctyloxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-[4-(cyclooctoxy)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[6-(4-cyclooctyloxyphenoxy)-3-pyridinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[6-(4-cyclooctyloxyphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-[4-(cyclooctoxy)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC2=CC=C(C=C2)OC3=NC=C(C=C3)CC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CCCC(CCC1)OC2=CC=C(C=C2)OC3=NC=C(C=C3)CC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H30N2O5/c31-26(30-25-11-7-6-10-24(25)28(32)33)18-20-12-17-27(29-19-20)35-23-15-13-22(14-16-23)34-21-8-4-2-1-3-5-9-21/h6-7,10-17,19,21H,1-5,8-9,18H2,(H,30,31)(H,32,33)