2-[4-(4-heptan-2-ylphenyl)phenyl]-5-pentoxy-pyrimidine

Systemtic Name: 2-[4-(4-heptan-2-ylphenyl)phenyl]-5-pentoxy-pyrimidine Openeye Name: 2-[4-[4-(1-methylhexyl)phenyl]phenyl]-5-pentoxy-pyrimidine CAS Name: 2-[4-(4-heptan-2-ylphenyl)phenyl]-5-pentoxypyrimidine IUPAC Name: 2-[4-(4-heptan-2-ylphenyl)phenyl]-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-[4-[4-(1-methylhexyl)phenyl]phenyl]pyrimidine Formula: C28H36N2O MolecularWeight: 416.59824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCC

Isomeric SMILES

CCCCCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCC

InChI

InChI=1S/C28H36N2O/c1-4-6-8-10-22(3)23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-29-20-27(21-30-28)31-19-9-7-5-2/h11-18,20-22H,4-10,19H2,1-3H3