[4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCC1=CN=C(C=C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C29H35NO3/c1-3-5-7-8-24-10-16-26(30-22-24)15-9-23-11-17-28(18-12-23)33-29(31)25-13-19-27(20-14-25)32-21-6-4-2/h10-14,16-20,22H,3-9,15,21H2,1-2H3