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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-2-methyl-butanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-2-methyl-butanoate CAS Name: 3-chloro-2-methylbutanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-2-methylbutanoate Traditional Name: 3-chloro-2-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/c1-4-5-6-7-8-9-10-19-15-25-22(26-16-19)20-11-13-21(14-12-20)28-23(27)17(2)18(3)24/h11-18H,4-10H2,1-3H3