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

Systemtic Name: 1-[(4-ethylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(4-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(=CS2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

InChI

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