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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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