1-[2-oxidanyl-3-(3,4,5-trimethoxyphenyl)propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-3-(3,4,5-trimethoxyphenyl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-3-(3,4,5-trimethoxyphenyl)propyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-3-(3,4,5-trimethoxyphenyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-3-(3,4,5-trimethoxyphenyl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-3-(3,4,5-trimethoxyphenyl)propyl]isonipecotic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(CN2CCC(CC2)C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(CN2CCC(CC2)C(=O)O)O

InChI

InChI=1S/C18H27NO6/c1-23-15-9-12(10-16(24-2)17(15)25-3)8-14(20)11-19-6-4-13(5-7-19)18(21)22/h9-10,13-14,20H,4-8,11H2,1-3H3,(H,21,22)