[4-(2-methylbutyl)phenyl] 5-undecylpyrimidine-2-carboxylate

Systemtic Name: [4-(2-methylbutyl)phenyl] 5-undecylpyrimidine-2-carboxylate Openeye Name: [4-(2-methylbutyl)phenyl] 5-undecylpyrimidine-2-carboxylate CAS Name: 5-undecyl-2-pyrimidinecarboxylic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 5-undecylpyrimidine-2-carboxylate Traditional Name: 5-undecylpyrimidine-2-carboxylic acid [4-(2-methylbutyl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

InChI

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