1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pipecolinic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C28H31NO6/c1-32-24-17-20(18-25(33-2)27(24)34-3)26(29-15-8-7-14-23(29)28(30)31)19-10-9-13-22(16-19)35-21-11-5-4-6-12-21/h4-6,9-13,16-18,23,26H,7-8,14-15H2,1-3H3,(H,30,31)