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

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

InChI

InChI=1S/C27H38N2O4/c1-4-5-6-7-8-9-10-11-12-13-21-18-28-25(29-19-21)22-14-16-23(17-15-22)32-26(30)24-20-31-27(2,3)33-24/h14-19,24H,4-13,20H2,1-3H3