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

Systemtic Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine Formula: C37H50N2O3 MolecularWeight: 570.8045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCCCCC5CC5

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCCCCC5CC5

InChI

InChI=1S/C37H50N2O3/c1-2-3-4-5-11-14-25-40-33-22-19-30(20-23-33)32-27-38-37(39-28-32)31-21-24-34-35(26-31)42-36(41-34)16-13-10-8-6-7-9-12-15-29-17-18-29/h19-24,26-29,36H,2-18,25H2,1H3