2-[4-[4-(3-butyloxiran-2-yl)oxy-3-methyl-phenyl]phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-[4-(3-butyloxiran-2-yl)oxy-3-methyl-phenyl]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-[4-(3-butyloxiran-2-yl)oxy-3-methyl-phenyl]phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-[4-[(3-butyl-2-oxiranyl)oxy]-3-methylphenyl]phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-[4-(3-butyloxiran-2-yl)oxy-3-methylphenyl]phenyl]-5-octylpyrimidine Traditional Name: 2-[4-[4-(3-butyloxiran-2-yl)oxy-3-methyl-phenyl]phenyl]-5-octyl-pyrimidine Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC4C(O4)CCCC)C

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC4C(O4)CCCC)C

InChI

InChI=1S/C31H40N2O2/c1-4-6-8-9-10-11-12-24-21-32-30(33-22-24)26-16-14-25(15-17-26)27-18-19-28(23(3)20-27)34-31-29(35-31)13-7-5-2/h14-22,29,31H,4-13H2,1-3H3