5-butyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine

Systemtic Name: 5-butyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine Openeye Name: 5-butyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine CAS Name: 5-butyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine IUPAC Name: 5-butyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine Traditional Name: 5-butyl-2-[4-(4-heptylbenzyl)oxyphenyl]pyrimidine Formula: C28H36N2O MolecularWeight: 416.59824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

InChI

InChI=1S/C28H36N2O/c1-3-5-7-8-9-11-23-12-14-24(15-13-23)22-31-27-18-16-26(17-19-27)28-29-20-25(21-30-28)10-6-4-2/h12-21H,3-11,22H2,1-2H3