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

Systemtic Name: 1-[(3-methylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(2-thienyl)methyl]nipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-13-5-2-6-14(11-13)17(16-8-4-10-22-16)19-9-3-7-15(12-19)18(20)21/h2,4-6,8,10-11,15,17H,3,7,9,12H2,1H3,(H,20,21)