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

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropanecarboxylate CAS Name: 2,2-dimethyl-1-cyclopropanecarboxylic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 2,2-dimethylcyclopropanecarboxylic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CC3(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CC3(C)C

InChI

InChI=1S/C28H40N2O3/c1-4-5-6-7-8-9-10-11-12-13-18-32-23-16-14-22(15-17-23)26-29-20-24(21-30-26)33-27(31)25-19-28(25,2)3/h14-17,20-21,25H,4-13,18-19H2,1-3H3