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2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine

2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine

Systemtic Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine
Openeye Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine
CAS Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine
IUPAC Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine
Traditional Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-octoxyphenyl)pyrimidine
Formula: C32H42N2O3
MolecularWeight: 502.68748
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCC


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCC


InChI

InChI=1S/C32H42N2O3/c1-3-5-7-9-11-13-21-35-28-18-15-25(16-19-28)27-23-33-32(34-24-27)26-17-20-29-30(22-26)37-31(36-29)14-12-10-8-6-4-2/h15-20,22-24,31H,3-14,21H2,1-2H3


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