2-[4-[1-[6-(4-cyanophenyl)pyridin-2-yl]pentoxy]-2-ethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-[6-(4-cyanophenyl)pyridin-2-yl]pentoxy]-2-ethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[1-[6-(4-cyanophenyl)-2-pyridyl]pentoxy]-2-ethyl-phenoxy]acetic acid CAS Name: 2-[4-[1-[6-(4-cyanophenyl)-2-pyridinyl]pentoxy]-2-ethylphenoxy]acetic acid IUPAC Name: 2-[4-[1-[6-(4-cyanophenyl)pyridin-2-yl]pentoxy]-2-ethylphenoxy]acetic acid Traditional Name: 2-[4-[1-[6-(4-cyanophenyl)-2-pyridyl]pentoxy]-2-ethyl-phenoxy]acetic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC(=N1)C2=CC=C(C=C2)C#N)OC3=CC(=C(C=C3)OCC(=O)O)CC

Isomeric SMILES

CCCCC(C1=CC=CC(=N1)C2=CC=C(C=C2)C#N)OC3=CC(=C(C=C3)OCC(=O)O)CC

InChI

InChI=1S/C27H28N2O4/c1-3-5-9-26(33-22-14-15-25(20(4-2)16-22)32-18-27(30)31)24-8-6-7-23(29-24)21-12-10-19(17-28)11-13-21/h6-8,10-16,26H,3-5,9,18H2,1-2H3,(H,30,31)