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

Systemtic Name: 1-[(2-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylthiazol-2-yl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methylthiazol-2-yl)-(o-tolyl)methyl]isonipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=NC(=CS2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=NC(=CS2)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-12-5-3-4-6-15(12)16(17-19-13(2)11-23-17)20-9-7-14(8-10-20)18(21)22/h3-6,11,14,16H,7-10H2,1-2H3,(H,21,22)