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

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]-2-methyl-propanoic acid Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]-2-methyl-propanoic acid CAS Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]-2-methylpropanoic acid IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]-2-methylpropanoic acid Traditional Name: 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]-2-methyl-propionic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4CC4)C(=O)O

Isomeric SMILES

CC(CN(CCC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2)C4CC4)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-15(21(25)26)14-24(17-8-9-17)13-12-16-6-10-18(11-7-16)27-22-23-19-4-2-3-5-20(19)28-22/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,25,26)