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

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-butylbenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C29H35NO2 MolecularWeight: 429.5937

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO2/c1-3-5-7-9-25-13-19-27(30-22-25)18-12-24-14-20-28(21-15-24)32-29(31)26-16-10-23(11-17-26)8-6-4-2/h10-11,13-17,19-22H,3-9,12,18H2,1-2H3