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

Systemtic Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[5-(4-amylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C31H44N2O2 MolecularWeight: 476.69326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC

InChI

InChI=1S/C31H44N2O2/c1-3-5-6-8-24-9-13-25(14-10-24)28-21-32-30(33-22-28)26-17-19-29(20-18-26)35-31(34)27-15-11-23(7-4-2)12-16-27/h17-25,27H,3-16H2,1-2H3