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

Systemtic Name: 2-[4-[(3S)-3-chloranylpentoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-[(3S)-3-chloropentoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-[(3S)-3-chloropentoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-[(3S)-3-chloropentoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[4-[(3S)-3-chloropentoxy]phenyl]-5-octyl-pyrimidine Formula: C23H33ClN2O MolecularWeight: 388.97392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O/c1-3-5-6-7-8-9-10-19-17-25-23(26-18-19)20-11-13-22(14-12-20)27-16-15-21(24)4-2/h11-14,17-18,21H,3-10,15-16H2,1-2H3/t21-/m0/s1