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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C24H33ClN2O2 MolecularWeight: 416.98402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C24H33ClN2O2/c1-4-5-6-7-8-9-10-11-19-16-26-23(27-17-19)20-12-14-21(15-13-20)29-24(28)22(25)18(2)3/h12-18,22H,4-11H2,1-3H3