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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(CN2CCCC(C2)C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(CN2CCCC(C2)C(=O)O)O

InChI

InChI=1S/C18H27NO6/c1-23-15-8-12(9-16(24-2)17(15)25-3)7-14(20)11-19-6-4-5-13(10-19)18(21)22/h8-9,13-14,20H,4-7,10-11H2,1-3H3,(H,21,22)