1-[2-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(2,6-dimethylphenyl)-5-phenyl-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(2,6-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(2,6-dimethylphenyl)-5-phenyl-imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=CN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=CN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-17-7-6-8-18(2)23(17)28-21(19-9-4-3-5-10-19)15-26-25(28)32-16-22(29)27-13-11-20(12-14-27)24(30)31/h3-10,15,20H,11-14,16H2,1-2H3,(H,30,31)