5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]pentanoic acid

Systemtic Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]pentanoic acid Openeye Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]pentanoic acid CAS Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]pentanoic acid IUPAC Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]pentanoic acid Traditional Name: 5-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropyl-amino]valeric acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c26-22(27)7-3-4-15-25(18-10-11-18)16-14-17-8-12-19(13-9-17)28-23-24-20-5-1-2-6-21(20)29-23/h1-2,5-6,8-9,12-13,18H,3-4,7,10-11,14-16H2,(H,26,27)