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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]proline Formula: C22H26FNO6 MolecularWeight: 419.443343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC3C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC3C(=O)O)F

InChI

InChI=1S/C22H26FNO6/c1-27-17-8-7-13(10-15(17)23)20(24-9-5-6-16(24)22(25)26)14-11-18(28-2)21(30-4)19(12-14)29-3/h7-8,10-12,16,20H,5-6,9H2,1-4H3,(H,25,26)