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

Systemtic Name: 1-[2-[1-(3-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(3-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(3-methoxyphenyl)-5-phenyl-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(3-methoxyphenyl)-5-phenyl-imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=CN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=CN=C2SCC(=O)N3CCC(CC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-31-20-9-5-8-19(14-20)27-21(17-6-3-2-4-7-17)15-25-24(27)32-16-22(28)26-12-10-18(11-13-26)23(29)30/h2-9,14-15,18H,10-13,16H2,1H3,(H,29,30)