3-[2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-5-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-5-yl]propanoic acid Openeye Name: 3-[2-amino-1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-5-yl]propanoic acid CAS Name: 3-[2-amino-1-(1,3-benzodioxol-5-ylmethyl)-5-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-amino-1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-5-yl]propanoic acid Traditional Name: 3-(2-amino-1-piperonyl-benzimidazol-5-yl)propionic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=C(C=C4)CCC(=O)O)N=C3N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=C(C=C4)CCC(=O)O)N=C3N

InChI

InChI=1S/C18H17N3O4/c19-18-20-13-7-11(3-6-17(22)23)1-4-14(13)21(18)9-12-2-5-15-16(8-12)25-10-24-15/h1-2,4-5,7-8H,3,6,9-10H2,(H2,19,20)(H,22,23)