1-[1,3-benzothiazol-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(4-quinolyl)methyl]nipecotic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

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