2-[4-(4-heptoxyphenyl)phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[4-(4-heptoxyphenyl)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(4-heptoxyphenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(4-heptoxyphenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(4-heptoxyphenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(4-heptoxyphenyl)phenyl]-5-heptyl-pyrimidine Formula: C30H40N2O MolecularWeight: 444.6514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O/c1-3-5-7-9-11-13-25-23-31-30(32-24-25)28-16-14-26(15-17-28)27-18-20-29(21-19-27)33-22-12-10-8-6-4-2/h14-21,23-24H,3-13,22H2,1-2H3