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

Systemtic Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(2-undecyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(2-undecylpyrimidin-5-yl)phenyl] ester Formula: C27H39ClN2O2 MolecularWeight: 459.06376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

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