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

Systemtic Name: 1-[naphthalen-1-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-naphthyl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-naphthalenyl(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-1-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-naphthyl(2-thienyl)methyl]nipecotic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H21NO2S/c23-21(24)16-8-4-12-22(14-16)20(19-11-5-13-25-19)18-10-3-7-15-6-1-2-9-17(15)18/h1-3,5-7,9-11,13,16,20H,4,8,12,14H2,(H,23,24)