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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C22H26FNO5/c1-27-18-8-7-15(13-17(18)23)20(24-11-9-14(10-12-24)22(25)26)16-5-4-6-19(28-2)21(16)29-3/h4-8,13-14,20H,9-12H2,1-3H3,(H,25,26)