[2,3-bis(fluoranyl)phenyl] 2-chloranyl-4-(5-heptylpyrimidin-2-yl)-3-methyl-butanoate

Systemtic Name: [2,3-bis(fluoranyl)phenyl] 2-chloranyl-4-(5-heptylpyrimidin-2-yl)-3-methyl-butanoate Openeye Name: (2,3-difluorophenyl) 2-chloro-4-(5-heptylpyrimidin-2-yl)-3-methyl-butanoate CAS Name: 2-chloro-4-(5-heptyl-2-pyrimidinyl)-3-methylbutanoic acid (2,3-difluorophenyl) ester IUPAC Name: (2,3-difluorophenyl) 2-chloro-4-(5-heptylpyrimidin-2-yl)-3-methylbutanoate Traditional Name: 2-chloro-4-(5-heptylpyrimidin-2-yl)-3-methyl-butyric acid (2,3-difluorophenyl) ester Formula: C22H27ClF2N2O2 MolecularWeight: 424.911786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)CC(C)C(C(=O)OC2=C(C(=CC=C2)F)F)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)CC(C)C(C(=O)OC2=C(C(=CC=C2)F)F)Cl

InChI

InChI=1S/C22H27ClF2N2O2/c1-3-4-5-6-7-9-16-13-26-19(27-14-16)12-15(2)20(23)22(28)29-18-11-8-10-17(24)21(18)25/h8,10-11,13-15,20H,3-7,9,12H2,1-2H3