(4-hexylphenyl) 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: (4-hexylphenyl) 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (4-hexylphenyl) ester Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C27H31NO2/c1-3-5-6-7-9-21-10-17-25(18-11-21)30-27(29)24-15-13-23(14-16-24)26-19-12-22(8-4-2)20-28-26/h10-20H,3-9H2,1-2H3