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

Systemtic Name: 2-(2-heptyl-1,3-benzodioxol-5-yl)-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Openeye Name: 2-(2-heptyl-1,3-benzodioxol-5-yl)-5-[4-(4-hexoxybutyl)phenyl]pyrimidine CAS Name: 2-(2-heptyl-1,3-benzodioxol-5-yl)-5-[4-(4-hexoxybutyl)phenyl]pyrimidine IUPAC Name: 2-(2-heptyl-1,3-benzodioxol-5-yl)-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Traditional Name: 2-(2-heptyl-1,3-benzodioxol-5-yl)-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Formula: C34H46N2O3 MolecularWeight: 530.74064

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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)CCCCOCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C34H46N2O3/c1-3-5-7-9-10-15-33-38-31-21-20-29(24-32(31)39-33)34-35-25-30(26-36-34)28-18-16-27(17-19-28)14-11-13-23-37-22-12-8-6-4-2/h16-21,24-26,33H,3-15,22-23H2,1-2H3