5-heptyl-2-[3-(4-phenylpentoxy)phenyl]pyrimidine

Systemtic Name: 5-heptyl-2-[3-(4-phenylpentoxy)phenyl]pyrimidine Openeye Name: 5-heptyl-2-[3-(4-phenylpentoxy)phenyl]pyrimidine CAS Name: 5-heptyl-2-[3-(4-phenylpentoxy)phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[3-(4-phenylpentoxy)phenyl]pyrimidine Traditional Name: 5-heptyl-2-[3-(4-phenylpentoxy)phenyl]pyrimidine Formula: C28H36N2O MolecularWeight: 416.59824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=CC=C2)OCCCC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=CC=C2)OCCCC(C)C3=CC=CC=C3

InChI

InChI=1S/C28H36N2O/c1-3-4-5-6-8-14-24-21-29-28(30-22-24)26-17-11-18-27(20-26)31-19-12-13-23(2)25-15-9-7-10-16-25/h7,9-11,15-18,20-23H,3-6,8,12-14,19H2,1-2H3