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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O2/c1-4-5-6-7-8-9-10-18-15-25-22(26-16-18)19-11-13-20(14-12-19)28-23(27)21(24)17(2)3/h11-17,21H,4-10H2,1-3H3