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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)CCC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(C(NC1)CCC2=CC=C(C=C2)OC3=NC4=CC=CC=C4S3)C(=O)O

InChI

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