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

Systemtic Name: 5-butyl-2-[4-[(4-hexoxyphenyl)methoxy]phenyl]pyrimidine Openeye Name: 5-butyl-2-[4-[(4-hexoxyphenyl)methoxy]phenyl]pyrimidine CAS Name: 5-butyl-2-[4-[(4-hexoxyphenyl)methoxy]phenyl]pyrimidine IUPAC Name: 5-butyl-2-[4-[(4-hexoxyphenyl)methoxy]phenyl]pyrimidine Traditional Name: 5-butyl-2-[4-(4-hexoxybenzyl)oxyphenyl]pyrimidine Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

InChI

InChI=1S/C27H34N2O2/c1-3-5-7-8-18-30-25-14-10-22(11-15-25)21-31-26-16-12-24(13-17-26)27-28-19-23(20-29-27)9-6-4-2/h10-17,19-20H,3-9,18,21H2,1-2H3