3-[(2,6-dimethylcyclohexyl)amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(2,6-dimethylcyclohexyl)amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2,6-dimethylcyclohexyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2,6-dimethylcyclohexyl)amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2,6-dimethylcyclohexyl)amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2,6-dimethylcyclohexyl)amino]-3-(2-thienyl)propionic acid Formula: C15H23NO2S MolecularWeight: 281.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC(CC(=O)O)C2=CC=CS2)C

Isomeric SMILES

CC1CCCC(C1NC(CC(=O)O)C2=CC=CS2)C

InChI

InChI=1S/C15H23NO2S/c1-10-5-3-6-11(2)15(10)16-12(9-14(17)18)13-7-4-8-19-13/h4,7-8,10-12,15-16H,3,5-6,9H2,1-2H3,(H,17,18)