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

Systemtic Name: [2-(5-dodecylpyrimidin-2-yl)phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [2-(5-dodecylpyrimidin-2-yl)phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [2-(5-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-dodecylpyrimidin-2-yl)phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [2-(5-laurylpyrimidin-2-yl)phenyl] ester Formula: C36H56N2O2 MolecularWeight: 548.84204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H56N2O2/c1-3-5-7-9-10-11-12-13-15-17-21-31-28-37-35(38-29-31)33-22-18-19-23-34(33)40-36(39)32-26-24-30(25-27-32)20-16-14-8-6-4-2/h18-19,22-23,28-30,32H,3-17,20-21,24-27H2,1-2H3