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

Systemtic Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Openeye Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine CAS Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine IUPAC Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Traditional Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidine Formula: C33H42N2O3 MolecularWeight: 514.69818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OCCCCCCC5CC5

Isomeric SMILES

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OCCCCCCC5CC5

InChI

InChI=1S/C33H42N2O3/c1-2-3-4-5-9-12-32-37-30-20-17-27(22-31(30)38-32)33-34-23-28(24-35-33)26-15-18-29(19-16-26)36-21-10-7-6-8-11-25-13-14-25/h15-20,22-25,32H,2-14,21H2,1H3