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

Systemtic Name: 1-[1-benzothiophen-3-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(naphthalen-1-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(1-naphthyl)methyl]nipecotic acid Formula: C25H23NO2S MolecularWeight: 401.52062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H23NO2S/c27-25(28)18-9-6-14-26(15-18)24(22-16-29-23-13-4-3-11-20(22)23)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18,24H,6,9,14-15H2,(H,27,28)