[4-(3-chloranyl-5-octyl-pyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(3-chloranyl-5-octyl-pyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(3-chloro-5-octyl-2-pyridyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(3-chloro-5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(3-chloro-5-octylpyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(3-chloro-5-octyl-2-pyridyl)phenyl] ester Formula: C31H44ClNO2 MolecularWeight: 498.13956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CC(=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)Cl

InChI

InChI=1S/C31H44ClNO2/c1-3-5-7-8-9-11-13-25-22-29(32)30(33-23-25)26-18-20-28(21-19-26)35-31(34)27-16-14-24(15-17-27)12-10-6-4-2/h18-24,27H,3-17H2,1-2H3