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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C19H22N2O5S/c1-25-15-6-5-12(8-16(15)26-2)18-20-14(11-27-18)9-17(22)21-7-3-4-13(10-21)19(23)24/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,23,24)