1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]isonipecotic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)CCC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S/c24-20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(8-6-15)26-21-22-18-3-1-2-4-19(18)27-21/h1-8,16H,9-14H2,(H,24,25)