2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine

Systemtic Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Openeye Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine CAS Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine IUPAC Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Traditional Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Formula: C37H52N2O4 MolecularWeight: 588.81978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCOCCCCCC

Isomeric SMILES

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCOCCCCCC

InChI

InChI=1S/C37H52N2O4/c1-3-5-7-11-23-40-25-13-9-15-30-17-19-31(20-18-30)33-28-38-37(39-29-33)32-21-22-34-35(27-32)43-36(42-34)16-10-14-26-41-24-12-8-6-4-2/h17-22,27-29,36H,3-16,23-26H2,1-2H3