1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[phenyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl(phenyl)methyl]isonipecotic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OC)OC

InChI

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