3-(2-ethoxypyrimidin-5-yl)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]nonanoic acid

Systemtic Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]nonanoic acid Openeye Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]nonanoic acid CAS Name: 3-(2-ethoxy-5-pyrimidinyl)-9-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]nonanoic acid IUPAC Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]nonanoic acid Traditional Name: 3-(2-ethoxypyrimidin-5-yl)-9-[6-(p-anisylamino)-2-pyridyl]pelargonic acid Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=N1)C(CCCCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC)CC(=O)O

Isomeric SMILES

CCOC1=NC=C(C=N1)C(CCCCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC)CC(=O)O

InChI

InChI=1S/C28H36N4O4/c1-3-36-28-30-19-23(20-31-28)22(17-27(33)34)9-6-4-5-7-10-24-11-8-12-26(32-24)29-18-21-13-15-25(35-2)16-14-21/h8,11-16,19-20,22H,3-7,9-10,17-18H2,1-2H3,(H,29,32)(H,33,34)