[4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[2-(5-pentoxy-2-pyridyl)ethyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[2-(5-pentoxy-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[2-(5-amoxy-2-pyridyl)ethyl]phenyl] ester Formula: C29H41NO3 MolecularWeight: 451.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCC

Isomeric SMILES

CCCCCOC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCC

InChI

InChI=1S/C29H41NO3/c1-3-5-7-21-32-28-20-17-26(30-22-28)16-11-24-12-18-27(19-13-24)33-29(31)25-14-9-23(10-15-25)8-6-4-2/h12-13,17-20,22-23,25H,3-11,14-16,21H2,1-2H3