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

Systemtic Name: 1-[(2-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)-(4-methylthiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-chlorophenyl)-(4-methylthiazol-2-yl)methyl]isonipecotic acid Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19ClN2O2S/c1-11-10-23-16(19-11)15(13-4-2-3-5-14(13)18)20-8-6-12(7-9-20)17(21)22/h2-5,10,12,15H,6-9H2,1H3,(H,21,22)