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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-4-methyl-heptanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-methyl-heptanoate CAS Name: 3-chloro-4-methylheptanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-methylheptanoate Traditional Name: 3-chloro-4-methyl-enanthic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C26H37ClN2O2 MolecularWeight: 445.03718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37ClN2O2/c1-4-6-7-8-9-10-12-21-18-28-26(29-19-21)22-13-15-23(16-14-22)31-25(30)17-24(27)20(3)11-5-2/h13-16,18-20,24H,4-12,17H2,1-3H3