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

Systemtic Name: 2-[4-(3-chloranylbutoxy)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(3-chlorobutoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(3-chlorobutoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(3-chlorobutoxy)phenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(3-chlorobutoxy)phenyl]-5-nonyl-pyrimidine Formula: C23H33ClN2O MolecularWeight: 388.97392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)Cl

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)Cl

InChI

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