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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]proline Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCC3C(=O)O)C

InChI

InChI=1S/C21H24FNO3/c1-13-9-14(2)11-16(10-13)20(23-8-4-5-18(23)21(24)25)15-6-7-19(26-3)17(22)12-15/h6-7,9-12,18,20H,4-5,8H2,1-3H3,(H,24,25)