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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(1-naphthyl)methyl]nipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C24H22N2O2S/c27-24(28)17-9-6-14-26(15-17)22(23-25-20-12-3-4-13-21(20)29-23)19-11-5-8-16-7-1-2-10-18(16)19/h1-5,7-8,10-13,17,22H,6,9,14-15H2,(H,27,28)