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

Systemtic Name: 5-heptyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine Openeye Name: 5-heptyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[4-[(4-heptylphenyl)methoxy]phenyl]pyrimidine Traditional Name: 5-heptyl-2-[4-(4-heptylbenzyl)oxyphenyl]pyrimidine Formula: C31H42N2O MolecularWeight: 458.67798

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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)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O/c1-3-5-7-9-11-13-26-15-17-27(18-16-26)25-34-30-21-19-29(20-22-30)31-32-23-28(24-33-31)14-12-10-8-6-4-2/h15-24H,3-14,25H2,1-2H3