[4-(5-octylpyridin-2-yl)phenyl] 3-chloranyl-2-methyl-decanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 3-chloranyl-2-methyl-decanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 3-chloro-2-methyl-decanoate CAS Name: 3-chloro-2-methyldecanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 3-chloro-2-methyldecanoate Traditional Name: 3-chloro-2-methyl-capric acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C30H44ClNO2 MolecularWeight: 486.12886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCCCCC)Cl

InChI

InChI=1S/C30H44ClNO2/c1-4-6-8-10-12-13-15-25-17-22-29(32-23-25)26-18-20-27(21-19-26)34-30(33)24(3)28(31)16-14-11-9-7-5-2/h17-24,28H,4-16H2,1-3H3