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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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