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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C27H29NO5/c1-31-24-15-14-20(18-25(24)32-2)26(28-16-7-6-13-23(28)27(29)30)19-9-8-12-22(17-19)33-21-10-4-3-5-11-21/h3-5,8-12,14-15,17-18,23,26H,6-7,13,16H2,1-2H3,(H,29,30)