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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(1-naphthyl)methyl]isonipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

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