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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2/c1-4-5-6-7-8-16-13-23-20(24-14-16)17-9-11-18(12-10-17)26-21(25)19(22)15(2)3/h9-15,19H,4-8H2,1-3H3