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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloranyl-4-methyl-heptanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloro-4-methyl-heptanoate CAS Name: 3-chloro-4-methylheptanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloro-4-methylheptanoate Traditional Name: 3-chloro-4-methyl-enanthic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C(C)CCC)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C(C)CCC)Cl

InChI

InChI=1S/C25H35ClN2O2/c1-4-6-7-8-9-11-20-17-27-25(28-18-20)21-12-14-22(15-13-21)30-24(29)16-23(26)19(3)10-5-2/h12-15,17-19,23H,4-11,16H2,1-3H3