1-[(2,4-dimethoxyphenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxy-phenyl)methyl]nipecotic acid Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)F)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)F)OC)N3CCCC(C3)C(=O)O)OC

InChI

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