1-[(1-methylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(1-methylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-imidazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-22-10-7-21-19(22)17(23-8-5-13(6-9-23)20(24)25)14-11-15(26-2)18(28-4)16(12-14)27-3/h7,10-13,17H,5-6,8-9H2,1-4H3,(H,24,25)