5-chloranyl-2-[2-[6-(4-pentan-3-yloxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[6-(4-pentan-3-yloxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[6-[4-(1-ethylpropoxy)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[6-(4-pentan-3-yloxyphenoxy)-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[6-(4-pentan-3-yloxyphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[6-[4-(1-ethylpropoxy)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid Formula: C25H25ClN2O5 MolecularWeight: 468.9294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC=C(C=C1)OC2=NC=C(C=C2)CC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCC(CC)OC1=CC=C(C=C1)OC2=NC=C(C=C2)CC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C25H25ClN2O5/c1-3-18(4-2)32-19-7-9-20(10-8-19)33-24-12-5-16(15-27-24)13-23(29)28-22-11-6-17(26)14-21(22)25(30)31/h5-12,14-15,18H,3-4,13H2,1-2H3,(H,28,29)(H,30,31)