1-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N2CCC(CC2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N2CCC(CC2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-20-15(13-5-3-2-4-6-13)11-19-18(20)25-12-16(22)21-9-7-14(8-10-21)17(23)24/h2-6,11,14H,7-10,12H2,1H3,(H,23,24)