1-[(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]isonipecotic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-21-11-8-20-18(21)17(22-9-6-13(7-10-22)19(23)24)14-4-5-15(25-2)16(12-14)26-3/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,23,24)