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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-13-3-4-16(11-14(13)2)22-10-7-20-19(22)26-12-17(23)21-8-5-15(6-9-21)18(24)25/h3-4,7,10-11,15H,5-6,8-9,12H2,1-2H3,(H,24,25)