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

Systemtic Name: [4-(2-octylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-octylpyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(2-octyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octylpyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(2-octylpyrimidin-5-yl)phenyl] ester Formula: C24H33ClN2O2 MolecularWeight: 416.98402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

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