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

Systemtic Name: 1-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2-(3-chlorophenyl)thiazol-4-yl]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(3-chlorophenyl)-4-thiazolyl]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-(3-chlorophenyl)thiazol-4-yl]acetyl]nipecotic acid Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN2O3S/c18-13-5-1-3-11(7-13)16-19-14(10-24-16)8-15(21)20-6-2-4-12(9-20)17(22)23/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,22,23)