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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]proline Formula: C21H25FN2O3 MolecularWeight: 372.433203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3/c1-23(2)16-9-6-14(7-10-16)20(24-12-4-5-18(24)21(25)26)17-13-15(22)8-11-19(17)27-3/h6-11,13,18,20H,4-5,12H2,1-3H3,(H,25,26)