methyl 2-[8-(oxan-2-yloxy)-1-pyridin-3-yl-octan-4-yl]oxyethanoate

Systemtic Name: methyl 2-[8-(oxan-2-yloxy)-1-pyridin-3-yl-octan-4-yl]oxyethanoate Openeye Name: methyl 2-[1-[3-(3-pyridyl)propyl]-5-tetrahydropyran-2-yloxy-pentoxy]acetate CAS Name: 2-[8-(2-oxanyloxy)-1-(3-pyridinyl)octan-4-yl]oxyacetic acid methyl ester IUPAC Name: methyl 2-[8-(oxan-2-yloxy)-1-pyridin-3-yloctan-4-yl]oxyacetate Traditional Name: 2-[1-[3-(3-pyridyl)propyl]-5-tetrahydropyran-2-yloxy-pentoxy]acetic acid methyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(CCCCOC1CCCCO1)CCCC2=CN=CC=C2

Isomeric SMILES

COC(=O)COC(CCCCOC1CCCCO1)CCCC2=CN=CC=C2

InChI

InChI=1S/C21H33NO5/c1-24-20(23)17-27-19(11-6-8-18-9-7-13-22-16-18)10-2-4-14-25-21-12-3-5-15-26-21/h7,9,13,16,19,21H,2-6,8,10-12,14-15,17H2,1H3