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

Systemtic Name: 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]butanoic acid Openeye Name: 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]butanoic acid CAS Name: 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropylamino]butanoic acid IUPAC Name: 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropylamino]butanoic acid Traditional Name: 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl-cyclopropyl-amino]butyric acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c25-21(26)6-3-13-24(16-7-8-16)14-15-27-17-9-11-18(12-10-17)28-22-23-19-4-1-2-5-20(19)29-22/h1-2,4-5,9-12,16H,3,6-8,13-15H2,(H,25,26)