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

Systemtic Name: [4-(2-nonylpyrimidin-5-yl)phenyl] 3-chloranyl-2-methyl-heptanoate Openeye Name: [4-(2-nonylpyrimidin-5-yl)phenyl] 3-chloro-2-methyl-heptanoate CAS Name: 3-chloro-2-methylheptanoic acid [4-(2-nonyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-nonylpyrimidin-5-yl)phenyl] 3-chloro-2-methylheptanoate Traditional Name: 3-chloro-2-methyl-enanthic acid [4-(2-nonylpyrimidin-5-yl)phenyl] ester Formula: C27H39ClN2O2 MolecularWeight: 459.06376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCC)Cl

InChI

InChI=1S/C27H39ClN2O2/c1-4-6-8-9-10-11-12-14-26-29-19-23(20-30-26)22-15-17-24(18-16-22)32-27(31)21(3)25(28)13-7-5-2/h15-21,25H,4-14H2,1-3H3