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

Systemtic Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[5-(4-amylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C35H52N2O2 MolecularWeight: 532.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCCCC

InChI

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