3,5-bis(1,3-benzodioxol-5-ylmethyl)pyridine

Systemtic Name: 3,5-bis(1,3-benzodioxol-5-ylmethyl)pyridine Openeye Name: 3,5-bis(1,3-benzodioxol-5-ylmethyl)pyridine CAS Name: 3,5-bis(1,3-benzodioxol-5-ylmethyl)pyridine IUPAC Name: 3,5-bis(1,3-benzodioxol-5-ylmethyl)pyridine Traditional Name: 3,5-dipiperonylpyridine Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CC(=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CC(=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17NO4/c1-3-18-20(25-12-23-18)8-14(1)5-16-7-17(11-22-10-16)6-15-2-4-19-21(9-15)26-13-24-19/h1-4,7-11H,5-6,12-13H2