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

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C4COC(O4)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C4COC(O4)(C)C

InChI

InChI=1S/C28H32N2O5/c1-4-5-6-7-16-32-23-12-10-21(11-13-23)26-29-17-22(18-30-26)20-8-14-24(15-9-20)34-27(31)25-19-33-28(2,3)35-25/h8-15,17-18,25H,4-7,16,19H2,1-3H3