5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidine

Systemtic Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidine Openeye Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidine CAS Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidine IUPAC Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidine Traditional Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidine Formula: C38H50N2O3 MolecularWeight: 582.8152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CCCCCCCCCC2OC3=C(O2)C=C(C=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)OCCCCCCC6CC6

Isomeric SMILES

C1CC1CCCCCCCCCC2OC3=C(O2)C=C(C=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)OCCCCCCC6CC6

InChI

InChI=1S/C38H50N2O3/c1(2-4-8-12-29-15-16-29)3-5-10-14-37-42-35-24-21-32(26-36(35)43-37)38-39-27-33(28-40-38)31-19-22-34(23-20-31)41-25-11-7-6-9-13-30-17-18-30/h19-24,26-30,37H,1-18,25H2