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

Systemtic Name: 5-nonyl-2-[4-(3-pentoxybutoxy)phenyl]pyrimidine Openeye Name: 5-nonyl-2-[4-(3-pentoxybutoxy)phenyl]pyrimidine CAS Name: 5-nonyl-2-[4-(3-pentoxybutoxy)phenyl]pyrimidine IUPAC Name: 5-nonyl-2-[4-(3-pentoxybutoxy)phenyl]pyrimidine Traditional Name: 2-[4-(3-amoxybutoxy)phenyl]-5-nonyl-pyrimidine Formula: C28H44N2O2 MolecularWeight: 440.66116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2O2/c1-4-6-8-9-10-11-12-14-25-22-29-28(30-23-25)26-15-17-27(18-16-26)32-21-19-24(3)31-20-13-7-5-2/h15-18,22-24H,4-14,19-21H2,1-3H3