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4-[4-(2-methylbutyl)phenyl]-5-undecyl-pyrimidine-2-carboxylate

4-[4-(2-methylbutyl)phenyl]-5-undecyl-pyrimidine-2-carboxylate

Systemtic Name:4-[4-(2-methylbutyl)phenyl]-5-undecyl-pyrimidine-2-carboxylate
Openeye Name:4-[4-(2-methylbutyl)phenyl]-5-undecyl-pyrimidine-2-carboxylate
CAS Name:4-[4-(2-methylbutyl)phenyl]-5-undecyl-2-pyrimidinecarboxylate
IUPAC Name:4-[4-(2-methylbutyl)phenyl]-5-undecylpyrimidine-2-carboxylate
Traditional Name:4-[4-(2-methylbutyl)phenyl]-5-undecyl-pyrimidine-2-carboxylate
Formula: C27H39N2O2-
MolecularWeight: 423.61076
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]


InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-9-10-11-12-13-14-24-20-28-26(27(30)31)29-25(24)23-17-15-22(16-18-23)19-21(3)5-2/h15-18,20-21H,4-14,19H2,1-3H3,(H,30,31)/p-1


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