[2-(4-decoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropanecarboxylate CAS Name: 2,2-dimethyl-1-cyclopropanecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 2,2-dimethylcyclopropanecarboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CC3(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CC3(C)C

InChI

InChI=1S/C26H36N2O3/c1-4-5-6-7-8-9-10-11-16-30-21-14-12-20(13-15-21)24-27-18-22(19-28-24)31-25(29)23-17-26(23,2)3/h12-15,18-19,23H,4-11,16-17H2,1-3H3