1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OC)OC

InChI

InChI=1S/C22H27NO5/c1-26-18-10-9-17(20(27-2)21(18)28-3)19(15-7-5-4-6-8-15)23-13-11-16(12-14-23)22(24)25/h4-10,16,19H,11-14H2,1-3H3,(H,24,25)