1-[(2,6-dimethoxyphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]pipecolinic acid Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2)OC)F)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C=C2)OC)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H26FNO5/c1-27-17-11-10-14(13-15(17)23)21(24-12-5-4-7-16(24)22(25)26)20-18(28-2)8-6-9-19(20)29-3/h6,8-11,13,16,21H,4-5,7,12H2,1-3H3,(H,25,26)