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

Systemtic Name: 1-[naphthalen-2-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-naphthyl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-naphthalenyl(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-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=CC3=CC=CC=C3C=C2)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=CS4)C(=O)O

InChI

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