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

Systemtic Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 2-chloranyl-4-methyl-pentanoate Openeye Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 2-chloro-4-methyl-pentanoate CAS Name: 2-chloro-4-methylpentanoic acid [4-(2-undecyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 2-chloro-4-methylpentanoate Traditional Name: 2-chloro-4-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(CC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O2/c1-4-5-6-7-8-9-10-11-12-13-26-29-19-23(20-30-26)22-14-16-24(17-15-22)32-27(31)25(28)18-21(2)3/h14-17,19-21,25H,4-13,18H2,1-3H3