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

Systemtic Name: [4-[2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] hexanoate Openeye Name: [4-[2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[2-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]pyrimidin-5-yl]phenyl] ester Formula: C35H44N2O4 MolecularWeight: 556.73486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCCCCC5CC5

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCCCCCCC5CC5

InChI

InChI=1S/C35H44N2O4/c1-2-3-9-13-33(38)39-30-20-17-27(18-21-30)29-24-36-35(37-25-29)28-19-22-31-32(23-28)41-34(40-31)14-11-8-6-4-5-7-10-12-26-15-16-26/h17-26,34H,2-16H2,1H3