[4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-(4-decylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C38H58N2O2 MolecularWeight: 574.87932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCCC

InChI

InChI=1S/C38H58N2O2/c1-3-5-7-8-9-10-11-13-15-31-16-20-32(21-17-31)35-28-39-37(40-29-35)33-24-26-36(27-25-33)42-38(41)34-22-18-30(19-23-34)14-12-6-4-2/h24-32,34H,3-23H2,1-2H3