[2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3COC(O3)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3COC(O3)(C)C

InChI

InChI=1S/C28H40N2O5/c1-4-5-6-7-8-9-10-11-12-13-18-32-23-16-14-22(15-17-23)26-29-19-24(20-30-26)34-27(31)25-21-33-28(2,3)35-25/h14-17,19-20,25H,4-13,18,21H2,1-3H3