1-[(3-methylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[m-tolyl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-tolyl(3-thienyl)methyl]isonipecotic acid Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

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