1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-methyl-1-oxo-3-[(2,4,6-trimethoxyphenyl)thio]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-methyl-3-[(2,4,6-trimethoxyphenyl)thio]butanoyl]isonipecotic acid Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCC(CC1)C(=O)O)SC2=C(C=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C)(CC(=O)N1CCC(CC1)C(=O)O)SC2=C(C=C(C=C2OC)OC)OC

InChI

InChI=1S/C20H29NO6S/c1-20(2,12-17(22)21-8-6-13(7-9-21)19(23)24)28-18-15(26-4)10-14(25-3)11-16(18)27-5/h10-11,13H,6-9,12H2,1-5H3,(H,23,24)