3-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]propanoic acid

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]propanoic acid Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]propanoic acid CAS Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropylamino]propanoic acid IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropylamino]propanoic acid Traditional Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]propionic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC(=O)O)CCOC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1N(CCC(=O)O)CCOC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S/c24-20(25)11-12-23(15-5-6-15)13-14-26-16-7-9-17(10-8-16)27-21-22-18-3-1-2-4-19(18)28-21/h1-4,7-10,15H,5-6,11-14H2,(H,24,25)