6-methyloctyl 4-(5-heptylpyridin-2-yl)benzoate

Systemtic Name: 6-methyloctyl 4-(5-heptylpyridin-2-yl)benzoate Openeye Name: 6-methyloctyl 4-(5-heptyl-2-pyridyl)benzoate CAS Name: 4-(5-heptyl-2-pyridinyl)benzoic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 4-(5-heptylpyridin-2-yl)benzoate Traditional Name: 4-(5-heptyl-2-pyridyl)benzoic acid 6-methyloctyl ester Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCC(C)CC

InChI

InChI=1S/C28H41NO2/c1-4-6-7-8-11-14-24-15-20-27(29-22-24)25-16-18-26(19-17-25)28(30)31-21-12-9-10-13-23(3)5-2/h15-20,22-23H,4-14,21H2,1-3H3