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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CS2)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CS2)N3CCCCC3C(=O)O

InChI

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