1-[(5-ethylthiophen-2-yl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(o-tolyl)methyl]nipecotic acid Formula: C20H25NO2S MolecularWeight: 343.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25NO2S/c1-3-16-10-11-18(24-16)19(17-9-5-4-7-14(17)2)21-12-6-8-15(13-21)20(22)23/h4-5,7,9-11,15,19H,3,6,8,12-13H2,1-2H3,(H,22,23)