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

Systemtic Name: [4-(2-methylbutyl)phenyl] 5-dodecylpyrimidine-2-carboxylate Openeye Name: [4-(2-methylbutyl)phenyl] 5-dodecylpyrimidine-2-carboxylate CAS Name: 5-dodecyl-2-pyrimidinecarboxylic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 5-dodecylpyrimidine-2-carboxylate Traditional Name: 5-laurylpyrimidine-2-carboxylic acid [4-(2-methylbutyl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

InChI

InChI=1S/C28H42N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-25-21-29-27(30-22-25)28(31)32-26-18-16-24(17-19-26)20-23(3)5-2/h16-19,21-23H,4-15,20H2,1-3H3