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

Systemtic Name: 2-[4-[(4S)-4-methylhexoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-[(4S)-4-methylhexoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-[(4S)-4-methylhexoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-[(4S)-4-methylhexoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[4-[(4S)-4-methylhexoxy]phenyl]-5-octyl-pyrimidine Formula: C25H38N2O MolecularWeight: 382.58202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O/c1-4-6-7-8-9-10-13-22-19-26-25(27-20-22)23-14-16-24(17-15-23)28-18-11-12-21(3)5-2/h14-17,19-21H,4-13,18H2,1-3H3/t21-/m0/s1