[4-(2-octylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: [4-(2-octylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-(2-octylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-(2-octyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octylpyrimidin-5-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-(2-octylpyrimidin-5-yl)phenyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

Isomeric SMILES

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

InChI

InChI=1S/C24H32N2O4/c1-4-5-6-7-8-9-10-22-25-15-19(16-26-22)18-11-13-20(14-12-18)29-23(27)21-17-28-24(2,3)30-21/h11-16,21H,4-10,17H2,1-3H3