1-[(3-methylthiophen-2-yl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylthiophen-2-yl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(2-naphthyl)methyl]isonipecotic acid Formula: C22H23NO2S MolecularWeight: 365.48852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23NO2S/c1-15-10-13-26-21(15)20(23-11-8-17(9-12-23)22(24)25)19-7-6-16-4-2-3-5-18(16)14-19/h2-7,10,13-14,17,20H,8-9,11-12H2,1H3,(H,24,25)