2-methylbutyl 4-(5-octylpyridin-2-yl)benzoate

Systemtic Name: 2-methylbutyl 4-(5-octylpyridin-2-yl)benzoate Openeye Name: 2-methylbutyl 4-(5-octyl-2-pyridyl)benzoate CAS Name: 4-(5-octyl-2-pyridinyl)benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-(5-octylpyridin-2-yl)benzoate Traditional Name: 4-(5-octyl-2-pyridyl)benzoic acid 2-methylbutyl ester Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C)CC

InChI

InChI=1S/C25H35NO2/c1-4-6-7-8-9-10-11-21-12-17-24(26-18-21)22-13-15-23(16-14-22)25(27)28-19-20(3)5-2/h12-18,20H,4-11,19H2,1-3H3