1-[(4-ethoxy-3-methoxy-phenyl)-(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-fluorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-fluorophenyl)methyl]proline Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CC=C2)F)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CC=C2)F)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C21H24FNO4/c1-3-27-18-10-9-15(13-19(18)26-2)20(14-6-4-7-16(22)12-14)23-11-5-8-17(23)21(24)25/h4,6-7,9-10,12-13,17,20H,3,5,8,11H2,1-2H3,(H,24,25)