[2-(5-dodecylpyrimidin-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-(5-dodecylpyrimidin-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-(5-dodecylpyrimidin-2-yl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-(5-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-dodecylpyrimidin-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-(5-laurylpyrimidin-2-yl)phenyl] ester Formula: C33H50N2O2 MolecularWeight: 506.7623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C3CCC(CC3)CCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C3CCC(CC3)CCCC

InChI

InChI=1S/C33H50N2O2/c1-3-5-7-8-9-10-11-12-13-14-18-28-25-34-32(35-26-28)30-19-15-16-20-31(30)37-33(36)29-23-21-27(22-24-29)17-6-4-2/h15-16,19-20,25-27,29H,3-14,17-18,21-24H2,1-2H3