4-ethoxycarbonyl-1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-[(4-fluoroanilino)-oxomethyl]-5-(4-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbethoxy-1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)proline Formula: C22H23FN2O6 MolecularWeight: 430.426223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C22H23FN2O6/c1-3-31-21(28)17-12-18(20(26)27)25(19(17)13-4-10-16(30-2)11-5-13)22(29)24-15-8-6-14(23)7-9-15/h4-11,17-19H,3,12H2,1-2H3,(H,24,29)(H,26,27)