1-[(5-chloranylthiophen-2-yl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(1-naphthyl)methyl]pipecolinic acid Formula: C21H20ClNO2S MolecularWeight: 385.907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H20ClNO2S/c22-19-12-11-18(26-19)20(23-13-4-3-10-17(23)21(24)25)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,11-12,17,20H,3-4,10,13H2,(H,24,25)