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

Systemtic Name: 1-[(2-methylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[o-tolyl(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[o-tolyl(3-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=CSC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

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