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

Systemtic Name: 1-[(3-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(4-methylthiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(4-methylthiazol-2-yl)methyl]isonipecotic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-12-11-24-17(19-12)16(14-4-3-5-15(10-14)23-2)20-8-6-13(7-9-20)18(21)22/h3-5,10-11,13,16H,6-9H2,1-2H3,(H,21,22)