N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(4-imidazol-1-ylphenoxy)ethanamine

Systemtic Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(4-imidazol-1-ylphenoxy)ethanamine Openeye Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(4-imidazol-1-ylphenoxy)ethanamine CAS Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-imidazolyl)phenoxy]ethanamine IUPAC Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-(4-imidazol-1-ylphenoxy)ethanamine Traditional Name: 2-(4-imidazol-1-ylphenoxy)ethyl-dipiperonyl-amine Formula: C27H25N3O5 MolecularWeight: 471.5045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCOC3=CC=C(C=C3)N4C=CN=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCOC3=CC=C(C=C3)N4C=CN=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N3O5/c1-7-24-26(34-18-32-24)13-20(1)15-29(16-21-2-8-25-27(14-21)35-19-33-25)11-12-31-23-5-3-22(4-6-23)30-10-9-28-17-30/h1-10,13-14,17H,11-12,15-16,18-19H2