[6-(4-octoxyphenyl)pyridin-3-yl] 3-chloranyloctanoate

Systemtic Name: [6-(4-octoxyphenyl)pyridin-3-yl] 3-chloranyloctanoate Openeye Name: [6-(4-octoxyphenyl)-3-pyridyl] 3-chlorooctanoate CAS Name: 3-chlorooctanoic acid [6-(4-octoxyphenyl)-3-pyridinyl] ester IUPAC Name: [6-(4-octoxyphenyl)pyridin-3-yl] 3-chlorooctanoate Traditional Name: 3-chlorocaprylic acid [6-(4-octoxyphenyl)-3-pyridyl] ester Formula: C27H38ClNO3 MolecularWeight: 460.04852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)CC(CCCCC)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)CC(CCCCC)Cl

InChI

InChI=1S/C27H38ClNO3/c1-3-5-7-8-9-11-19-31-24-15-13-22(14-16-24)26-18-17-25(21-29-26)32-27(30)20-23(28)12-10-6-4-2/h13-18,21,23H,3-12,19-20H2,1-2H3