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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=NC5=CC=CC=C5S4

InChI

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