[4-[2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidin-5-yl]phenyl] hexanoate

Systemtic Name: [4-[2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidin-5-yl]phenyl] hexanoate Openeye Name: [4-[2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidin-5-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[2-(2-heptyl-1,3-benzodioxol-5-yl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidin-5-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[2-(2-heptyl-1,3-benzodioxol-5-yl)pyrimidin-5-yl]phenyl] ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OC(=O)CCCCC

InChI

InChI=1S/C30H36N2O4/c1-3-5-7-8-10-12-29-35-26-18-15-23(19-27(26)36-29)30-31-20-24(21-32-30)22-13-16-25(17-14-22)34-28(33)11-9-6-4-2/h13-21,29H,3-12H2,1-2H3