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

Systemtic Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[5-(4-propylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC

Isomeric SMILES

CCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC

InChI

InChI=1S/C29H40N2O2/c1-3-5-21-7-11-23(12-8-21)26-19-30-28(31-20-26)24-15-17-27(18-16-24)33-29(32)25-13-9-22(6-4-2)10-14-25/h15-23,25H,3-14H2,1-2H3