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

Systemtic Name: 5-[4-(4-butoxybutoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Openeye Name: 5-[4-(4-butoxybutoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine CAS Name: 5-[4-(4-butoxybutoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine IUPAC Name: 5-[4-(4-butoxybutoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Traditional Name: 5-[4-(4-butoxybutoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Formula: C32H42N2O4 MolecularWeight: 518.68688

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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)OCCCCOCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O4/c1-3-5-7-8-9-12-31-37-29-18-15-26(22-30(29)38-31)32-33-23-27(24-34-32)25-13-16-28(17-14-25)36-21-11-10-20-35-19-6-4-2/h13-18,22-24,31H,3-12,19-21H2,1-2H3