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

Systemtic Name: [4-[2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] hexanoate Openeye Name: [4-[2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] ester Formula: C33H42N2O5 MolecularWeight: 546.69698

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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)OC(=O)CCCCC

Isomeric SMILES

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OC(=O)CCCCC

InChI

InChI=1S/C33H42N2O5/c1-3-5-7-10-20-37-21-11-9-13-32-39-29-19-16-26(22-30(29)40-32)33-34-23-27(24-35-33)25-14-17-28(18-15-25)38-31(36)12-8-6-4-2/h14-19,22-24,32H,3-13,20-21H2,1-2H3