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

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C23H30ClNO2/c1-4-5-6-7-8-9-18-10-15-21(25-16-18)19-11-13-20(14-12-19)27-23(26)22(24)17(2)3/h10-17,22H,4-9H2,1-3H3