3-(2-ethoxypyrimidin-5-yl)-9-[6-(ethylamino)pyridin-2-yl]nonanoic acid

Systemtic Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-(ethylamino)pyridin-2-yl]nonanoic acid Openeye Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-(ethylamino)-2-pyridyl]nonanoic acid CAS Name: 3-(2-ethoxy-5-pyrimidinyl)-9-[6-(ethylamino)-2-pyridinyl]nonanoic acid IUPAC Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-(ethylamino)pyridin-2-yl]nonanoic acid Traditional Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-(ethylamino)-2-pyridyl]pelargonic acid Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC(=N1)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OCC

Isomeric SMILES

CCNC1=CC=CC(=N1)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OCC

InChI

InChI=1S/C22H32N4O3/c1-3-23-20-13-9-12-19(26-20)11-8-6-5-7-10-17(14-21(27)28)18-15-24-22(25-16-18)29-4-2/h9,12-13,15-17H,3-8,10-11,14H2,1-2H3,(H,23,26)(H,27,28)