2-[1,3-benzodioxol-5-ylmethyl-[2-(4-imidazol-1-ylphenoxy)ethyl]amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(4-imidazol-1-ylphenoxy)ethyl]amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(4-imidazol-1-ylphenoxy)ethyl]amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-[4-(1-imidazolyl)phenoxy]ethyl]amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(4-imidazol-1-ylphenoxy)ethyl]amino]acetic acid Traditional Name: 2-[2-(4-imidazol-1-ylphenoxy)ethyl-piperonyl-amino]acetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCOC3=CC=C(C=C3)N4C=CN=C4)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCOC3=CC=C(C=C3)N4C=CN=C4)CC(=O)O

InChI

InChI=1S/C21H21N3O5/c25-21(26)13-23(12-16-1-6-19-20(11-16)29-15-28-19)9-10-27-18-4-2-17(3-5-18)24-8-7-22-14-24/h1-8,11,14H,9-10,12-13,15H2,(H,25,26)