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

Systemtic Name: 1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-25-15-4-2-14(3-5-15)21-11-8-19-18(21)26-12-16(22)20-9-6-13(7-10-20)17(23)24/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,23,24)