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

Systemtic Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[5-(4-octylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C35H52N2O2 MolecularWeight: 532.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

InChI

InChI=1S/C35H52N2O2/c1-3-5-7-8-9-10-12-28-13-17-29(18-14-28)32-25-36-34(37-26-32)30-21-23-33(24-22-30)39-35(38)31-19-15-27(16-20-31)11-6-4-2/h21-29,31H,3-20H2,1-2H3