5-[3-[(3-butyloxiran-2-yl)methoxy]phenyl]-2-(4-octoxyphenyl)pyrimidine

Systemtic Name: 5-[3-[(3-butyloxiran-2-yl)methoxy]phenyl]-2-(4-octoxyphenyl)pyrimidine Openeye Name: 5-[3-[(3-butyloxiran-2-yl)methoxy]phenyl]-2-(4-octoxyphenyl)pyrimidine CAS Name: 5-[3-[(3-butyl-2-oxiranyl)methoxy]phenyl]-2-(4-octoxyphenyl)pyrimidine IUPAC Name: 5-[3-[(3-butyloxiran-2-yl)methoxy]phenyl]-2-(4-octoxyphenyl)pyrimidine Traditional Name: 5-[3-[(3-butyloxiran-2-yl)methoxy]phenyl]-2-(4-octoxyphenyl)pyrimidine Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC(=CC=C3)OCC4C(O4)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC(=CC=C3)OCC4C(O4)CCCC

InChI

InChI=1S/C31H40N2O3/c1-3-5-7-8-9-10-19-34-27-17-15-24(16-18-27)31-32-21-26(22-33-31)25-12-11-13-28(20-25)35-23-30-29(36-30)14-6-4-2/h11-13,15-18,20-22,29-30H,3-10,14,19,23H2,1-2H3