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

Systemtic Name: 6-methyloctyl 4-(5-hexylpyridin-2-yl)benzoate Openeye Name: 6-methyloctyl 4-(5-hexyl-2-pyridyl)benzoate CAS Name: 4-(5-hexyl-2-pyridinyl)benzoic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 4-(5-hexylpyridin-2-yl)benzoate Traditional Name: 4-(5-hexyl-2-pyridyl)benzoic acid 6-methyloctyl ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCCCCCC(C)CC

InChI

InChI=1S/C27H39NO2/c1-4-6-7-10-13-23-14-19-26(28-21-23)24-15-17-25(18-16-24)27(29)30-20-11-8-9-12-22(3)5-2/h14-19,21-22H,4-13,20H2,1-3H3