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

Systemtic Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-propylbenzoate Openeye Name: [4-[2-(5-pentoxy-2-pyridyl)ethyl]phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[2-(5-pentoxy-2-pyridinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(5-pentoxypyridin-2-yl)ethyl]phenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[2-(5-amoxy-2-pyridyl)ethyl]phenyl] ester Formula: C28H33NO3 MolecularWeight: 431.56652

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO3/c1-3-5-6-20-31-27-19-16-25(29-21-27)15-10-23-11-17-26(18-12-23)32-28(30)24-13-8-22(7-4-2)9-14-24/h8-9,11-14,16-19,21H,3-7,10,15,20H2,1-2H3