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

Systemtic Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Openeye Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine CAS Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine IUPAC Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Traditional Name: 5-[4-(6-cyclopropylhexoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Formula: C36H48N2O4 MolecularWeight: 572.77732

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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)OCCCCCCC5CC5

Isomeric SMILES

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OCCCCCCC5CC5

InChI

InChI=1S/C36H48N2O4/c1-2-3-4-9-22-39-23-11-8-13-35-41-33-21-18-30(25-34(33)42-35)36-37-26-31(27-38-36)29-16-19-32(20-17-29)40-24-10-6-5-7-12-28-14-15-28/h16-21,25-28,35H,2-15,22-24H2,1H3