2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine

Systemtic Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Openeye Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine CAS Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine IUPAC Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Traditional Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-[4-(4-hexoxybutyl)phenyl]pyrimidine Formula: C39H54N2O3 MolecularWeight: 598.85766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCCCCC5CC5

Isomeric SMILES

CCCCCCOCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCCCCC5CC5

InChI

InChI=1S/C39H54N2O3/c1-2-3-4-13-26-42-27-14-12-16-32-20-22-33(23-21-32)35-29-40-39(41-30-35)34-24-25-36-37(28-34)44-38(43-36)17-11-9-7-5-6-8-10-15-31-18-19-31/h20-25,28-31,38H,2-19,26-27H2,1H3