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

Systemtic Name: 1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(3,4,5-trimethoxybenzyl)nipecotic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5/c1-20-13-7-11(8-14(21-2)15(13)22-3)9-17-6-4-5-12(10-17)16(18)19/h7-8,12H,4-6,9-10H2,1-3H3,(H,18,19)