1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]isonipecotic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C19H22N2O5S/c1-25-15-4-3-13(9-16(15)26-2)18-20-14(11-27-18)10-17(22)21-7-5-12(6-8-21)19(23)24/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,23,24)