1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-13-9-14(2)11-16(10-13)22-8-5-20-19(22)26-12-17(23)21-6-3-15(4-7-21)18(24)25/h5,8-11,15H,3-4,6-7,12H2,1-2H3,(H,24,25)