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

Systemtic Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[5-(4-butylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C30H42N2O2 MolecularWeight: 462.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC

Isomeric SMILES

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC

InChI

InChI=1S/C30H42N2O2/c1-3-5-7-23-8-12-24(13-9-23)27-20-31-29(32-21-27)25-16-18-28(19-17-25)34-30(33)26-14-10-22(6-4-2)11-15-26/h16-24,26H,3-15H2,1-2H3