5-[4-(9-cyclopropylnonyl)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine

Systemtic Name: 5-[4-(9-cyclopropylnonyl)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Openeye Name: 5-[4-(9-cyclopropylnonyl)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine CAS Name: 5-[4-(9-cyclopropylnonyl)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine IUPAC Name: 5-[4-(9-cyclopropylnonyl)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Traditional Name: 5-[4-(9-cyclopropylnonyl)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Formula: C36H48N2O2 MolecularWeight: 540.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCCCCC5CC5

Isomeric SMILES

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCCCCC5CC5

InChI

InChI=1S/C36H48N2O2/c1-2-3-4-8-13-16-35-39-33-24-23-31(25-34(33)40-35)36-37-26-32(27-38-36)30-21-19-29(20-22-30)15-12-10-7-5-6-9-11-14-28-17-18-28/h19-28,35H,2-18H2,1H3