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

Systemtic Name: 1-[naphthalen-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-naphthyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-naphthalenyl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-naphthyl(2-thienyl)methyl]isonipecotic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=CC=CC=C3C=C2)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=CC=CC=C3C=C2)C4=CC=CS4

InChI

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