1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(1-naphthyl)methyl]isonipecotic acid Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC3=CC=CC=C32)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC3=CC=CC=C32)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H23NO2S/c27-25(28)18-12-14-26(15-13-18)24(23-16-19-7-2-4-11-22(19)29-23)21-10-5-8-17-6-1-3-9-20(17)21/h1-11,16,18,24H,12-15H2,(H,27,28)