5-octyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine

Systemtic Name: 5-octyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine Openeye Name: 5-octyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine CAS Name: 5-octyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine IUPAC Name: 5-octyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine Traditional Name: 2-[4-(4-amylbenzyl)oxyphenyl]-5-octyl-pyrimidine Formula: C30H40N2O MolecularWeight: 444.6514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)CCCCC

InChI

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