[2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpentyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpentyl)cyclohexane-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-isohexylcyclohexanecarboxylate CAS Name: 4-(4-methylpentyl)-1-cyclohexanecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpentyl)cyclohexane-1-carboxylate Traditional Name: 4-isohexylcyclohexanecarboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C33H50N2O3 MolecularWeight: 522.7617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(CC3)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(CC3)CCCC(C)C

InChI

InChI=1S/C33H50N2O3/c1-4-5-6-7-8-9-10-11-23-37-30-21-19-28(20-22-30)32-34-24-31(25-35-32)38-33(36)29-17-15-27(16-18-29)14-12-13-26(2)3/h19-22,24-27,29H,4-18,23H2,1-3H3