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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(1-methylimidazol-2-yl)methyl]isonipecotic acid Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CN=C1C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22ClN3O3/c1-21-10-7-20-17(21)16(14-11-13(19)3-4-15(14)25-2)22-8-5-12(6-9-22)18(23)24/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,23,24)