1-[1,3-benzothiazol-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(2-quinolyl)methyl]nipecotic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C23H21N3O2S/c27-23(28)16-7-5-13-26(14-16)21(22-25-18-9-3-4-10-20(18)29-22)19-12-11-15-6-1-2-8-17(15)24-19/h1-4,6,8-12,16,21H,5,7,13-14H2,(H,27,28)