8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]octanoic acid

Systemtic Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]octanoic acid Openeye Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]octanoic acid CAS Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]octanoic acid IUPAC Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]octanoic acid Traditional Name: 8-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]caprylic acid Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCCCCCCC(=O)O)CCC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1N(CCCCCCCC(=O)O)CCC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H32N2O3S/c29-25(30)10-4-2-1-3-7-18-28(21-13-14-21)19-17-20-11-15-22(16-12-20)31-26-27-23-8-5-6-9-24(23)32-26/h5-6,8-9,11-12,15-16,21H,1-4,7,10,13-14,17-19H2,(H,29,30)