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

Systemtic Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[5-(4-propylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C30H42N2O2 MolecularWeight: 462.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCC

InChI

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