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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(4-methylthiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(4-methylthiazol-2-yl)methyl]isonipecotic acid Formula: C17H18Cl2N2O2S MolecularWeight: 385.30802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H18Cl2N2O2S/c1-10-9-24-16(20-10)15(13-3-2-12(18)8-14(13)19)21-6-4-11(5-7-21)17(22)23/h2-3,8-9,11,15H,4-7H2,1H3,(H,22,23)