1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C17H18FN3O3S MolecularWeight: 363.406523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)F

InChI

InChI=1S/C17H18FN3O3S/c18-13-2-1-3-14(10-13)21-9-6-19-17(21)25-11-15(22)20-7-4-12(5-8-20)16(23)24/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,23,24)