1-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-methylthiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-methylthiazol-2-yl)methyl]isonipecotic acid Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S/c1-11-10-25-17(20-11)16(14-9-13(19)3-4-15(14)24-2)21-7-5-12(6-8-21)18(22)23/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,22,23)