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

Systemtic Name: 1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(1-naphthyl)methyl]nipecotic acid Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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