7-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]heptanoic acid

Systemtic Name: 7-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]heptanoic acid Openeye Name: 7-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]heptanoic acid CAS Name: 7-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]heptanoic acid IUPAC Name: 7-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]heptanoic acid Traditional Name: 7-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]enanthic acid Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c28-24(29)9-3-1-2-6-17-27(20-12-13-20)18-16-19-10-14-21(15-11-19)30-25-26-22-7-4-5-8-23(22)31-25/h4-5,7-8,10-11,14-15,20H,1-3,6,9,12-13,16-18H2,(H,28,29)