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

Systemtic Name: 2-[4-(3-chloranylbutoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(3-chlorobutoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(3-chlorobutoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(3-chlorobutoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(3-chlorobutoxy)phenyl]-5-octyl-pyrimidine Formula: C22H31ClN2O MolecularWeight: 374.94734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O/c1-3-4-5-6-7-8-9-19-16-24-22(25-17-19)20-10-12-21(13-11-20)26-15-14-18(2)23/h10-13,16-18H,3-9,14-15H2,1-2H3