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

Systemtic Name: 1-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2-(3-methoxyphenyl)thiazol-4-yl]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(3-methoxyphenyl)-4-thiazolyl]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-(3-methoxyphenyl)thiazol-4-yl]acetyl]nipecotic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-24-15-6-2-4-12(8-15)17-19-14(11-25-17)9-16(21)20-7-3-5-13(10-20)18(22)23/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,22,23)