1,3-benzodioxol-5-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid piperonyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H32N2O5/c29-25(31-17-19-5-6-23-24(13-19)33-18-32-23)14-20-11-21(15-27-7-1-2-8-27)26(30)22(12-20)16-28-9-3-4-10-28/h5-6,11-13,30H,1-4,7-10,14-18H2