[4-(5-hexylpyridin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-(5-hexylpyridin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-hexyl-2-pyridyl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-hexyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyridin-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-hexyl-2-pyridyl)phenyl] ester Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C22H28ClNO2/c1-4-5-6-7-8-17-9-14-20(24-15-17)18-10-12-19(13-11-18)26-22(25)21(23)16(2)3/h9-16,21H,4-8H2,1-3H3