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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(4-fluorophenyl)methyl]nipecotic acid Formula: C17H17ClFNO2S MolecularWeight: 353.838783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)F)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)F)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C17H17ClFNO2S/c18-15-8-7-14(23-15)16(11-3-5-13(19)6-4-11)20-9-1-2-12(10-20)17(21)22/h3-8,12,16H,1-2,9-10H2,(H,21,22)