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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=CC=CC=C2OC)N3CCC(CC3)C(=O)O

InChI

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