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

Systemtic Name: 1-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1-benzylimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-16(20-9-6-15(7-10-20)17(23)24)13-25-18-19-8-11-21(18)12-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,23,24)