2-[4-[(3S)-3-methylpentoxy]phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-[(3S)-3-methylpentoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-[(3S)-3-methylpentoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-[(3S)-3-methylpentoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-[(3S)-3-methylpentoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[4-[(3S)-3-methylpentoxy]phenyl]-5-octyl-pyrimidine Formula: C24H36N2O MolecularWeight: 368.55544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC[C@@H](C)CC

InChI

InChI=1S/C24H36N2O/c1-4-6-7-8-9-10-11-21-18-25-24(26-19-21)22-12-14-23(15-13-22)27-17-16-20(3)5-2/h12-15,18-20H,4-11,16-17H2,1-3H3/t20-/m0/s1