[4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-butylbenzoate

Systemtic Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-butylbenzoate Openeye Name: [4-[2-(5-pentoxy-2-pyridyl)ethyl]phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[2-(5-pentoxy-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[2-(5-amoxy-2-pyridyl)ethyl]phenyl] ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCOC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C29H35NO3/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/h9-10,12-15,17-20,22H,3-8,11,16,21H2,1-2H3