[4-(2-methylbutyl)phenyl] 5-hexylpyridine-2-carboxylate

Systemtic Name: [4-(2-methylbutyl)phenyl] 5-hexylpyridine-2-carboxylate Openeye Name: [4-(2-methylbutyl)phenyl] 5-hexylpyridine-2-carboxylate CAS Name: 5-hexyl-2-pyridinecarboxylic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 5-hexylpyridine-2-carboxylate Traditional Name: 5-hexylpicolinic acid [4-(2-methylbutyl)phenyl] ester Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

InChI

InChI=1S/C23H31NO2/c1-4-6-7-8-9-20-12-15-22(24-17-20)23(25)26-21-13-10-19(11-14-21)16-18(3)5-2/h10-15,17-18H,4-9,16H2,1-3H3