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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3C(OC(O3)(C)C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3C(OC(O3)(C)C)CC

InChI

InChI=1S/C26H36N2O5/c1-5-7-8-9-10-11-16-30-20-14-12-19(13-15-20)24-27-17-21(18-28-24)31-25(29)23-22(6-2)32-26(3,4)33-23/h12-15,17-18,22-23H,5-11,16H2,1-4H3