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

Systemtic Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-pentylbenzoate Openeye Name: [4-[2-(5-pentyl-2-pyridyl)ethyl]phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[2-(5-pentyl-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentylpyridin-2-yl)ethyl]phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[2-(5-amyl-2-pyridyl)ethyl]phenyl] ester Formula: C30H37NO2 MolecularWeight: 443.62028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC3=NC=C(C=C3)CCCCC

InChI

InChI=1S/C30H37NO2/c1-3-5-7-9-24-11-17-27(18-12-24)30(32)33-29-21-15-25(16-22-29)13-19-28-20-14-26(23-31-28)10-8-6-4-2/h11-12,14-18,20-23H,3-10,13,19H2,1-2H3