1-[2-[[1-ethoxy-4-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-ethoxy-4-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-ethoxycarbonyl-3-(4-fluorophenyl)propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-ethoxy-4-(4-fluorophenyl)-1-oxobutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-ethoxy-4-(4-fluorophenyl)-1-oxobutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-carbethoxy-3-(4-fluorophenyl)propyl]amino]propanoyl]proline Formula: C20H27FN2O5 MolecularWeight: 394.437183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)F)NC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)F)NC(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H27FN2O5/c1-3-28-20(27)16(11-8-14-6-9-15(21)10-7-14)22-13(2)18(24)23-12-4-5-17(23)19(25)26/h6-7,9-10,13,16-17,22H,3-5,8,11-12H2,1-2H3,(H,25,26)