[2-(4-decoxyphenyl)pyrimidin-5-yl] cyclohexanecarboxylate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] cyclohexanecarboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCCCC3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCCCC3

InChI

InChI=1S/C27H38N2O3/c1-2-3-4-5-6-7-8-12-19-31-24-17-15-22(16-18-24)26-28-20-25(21-29-26)32-27(30)23-13-10-9-11-14-23/h15-18,20-21,23H,2-14,19H2,1H3