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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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