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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=CC4=CC=CC=C43)C(=O)O

InChI

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