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

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

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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)CCCCCCCCCC5CC5

Isomeric SMILES

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCCCCC5CC5

InChI

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