[6-(4-octoxyphenyl)pyridin-3-yl] 3-chloranyl-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: [6-(4-octoxyphenyl)pyridin-3-yl] 3-chloranyl-4-pentyl-cyclohexane-1-carboxylate Openeye Name: [6-(4-octoxyphenyl)-3-pyridyl] 3-chloro-4-pentyl-cyclohexanecarboxylate CAS Name: 3-chloro-4-pentyl-1-cyclohexanecarboxylic acid [6-(4-octoxyphenyl)-3-pyridinyl] ester IUPAC Name: [6-(4-octoxyphenyl)pyridin-3-yl] 3-chloro-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-3-chloro-cyclohexanecarboxylic acid [6-(4-octoxyphenyl)-3-pyridyl] ester Formula: C31H44ClNO3 MolecularWeight: 514.13896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)C3CCC(C(C3)Cl)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)C3CCC(C(C3)Cl)CCCCC

InChI

InChI=1S/C31H44ClNO3/c1-3-5-7-8-9-11-21-35-27-17-15-25(16-18-27)30-20-19-28(23-33-30)36-31(34)26-14-13-24(29(32)22-26)12-10-6-4-2/h15-20,23-24,26,29H,3-14,21-22H2,1-2H3