1-[(5-ethylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(4-fluorophenyl)methyl]nipecotic acid Formula: C19H22FNO2S MolecularWeight: 347.446883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO2S/c1-2-16-9-10-17(24-16)18(13-5-7-15(20)8-6-13)21-11-3-4-14(12-21)19(22)23/h5-10,14,18H,2-4,11-12H2,1H3,(H,22,23)