2-octoxy-5-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine

Systemtic Name: 2-octoxy-5-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine Openeye Name: 2-octoxy-5-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine CAS Name: 2-octoxy-5-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine IUPAC Name: 2-octoxy-5-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine Traditional Name: 2-octoxy-5-[4-(1-octyl-3-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine Formula: C31H46N2O MolecularWeight: 462.70974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CN=C(N=C4)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CN=C(N=C4)OCCCCCCCC

InChI

InChI=1S/C31H46N2O/c1-3-5-7-9-11-13-19-30-23-31(24-30,25-30)28-17-15-26(16-18-28)27-21-32-29(33-22-27)34-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20,23-25H2,1-2H3