[2-(4-undecylphenyl)pyrimidin-5-yl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [2-(4-undecylphenyl)pyrimidin-5-yl] 4-propylcyclohexane-1-carboxylate Openeye Name: [2-(4-undecylphenyl)pyrimidin-5-yl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [2-(4-undecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecylphenyl)pyrimidin-5-yl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [2-(4-undecylphenyl)pyrimidin-5-yl] ester Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(CC3)CCC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(CC3)CCC

InChI

InChI=1S/C31H46N2O2/c1-3-5-6-7-8-9-10-11-12-14-26-15-19-27(20-16-26)30-32-23-29(24-33-30)35-31(34)28-21-17-25(13-4-2)18-22-28/h15-16,19-20,23-25,28H,3-14,17-18,21-22H2,1-2H3