1-[(4-ethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C20H25NO2S MolecularWeight: 343.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(S2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(S2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25NO2S/c1-3-15-7-9-16(10-8-15)19(18-11-6-14(2)24-18)21-12-4-5-17(13-21)20(22)23/h6-11,17,19H,3-5,12-13H2,1-2H3,(H,22,23)