[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 3-propyloxirane-2-carboxylate

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 3-propyloxirane-2-carboxylate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 3-propyloxirane-2-carboxylate CAS Name: 3-propyl-2-oxiranecarboxylic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 3-propyloxirane-2-carboxylate Traditional Name: 3-propyloxirane-2-carboxylic acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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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)C4C(O4)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C4C(O4)CCC

InChI

InChI=1S/C28H32N2O4/c1-3-5-6-7-17-32-23-13-11-21(12-14-23)27-29-18-22(19-30-27)20-9-15-24(16-10-20)33-28(31)26-25(34-26)8-4-2/h9-16,18-19,25-26H,3-8,17H2,1-2H3