5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[(4-fluoroanilino)-oxomethyl]-4-methoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]proline Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H18FN3O5/c1-30-20(28)16-10-17(19(26)27)25(18(16)13-4-2-12(11-23)3-5-13)21(29)24-15-8-6-14(22)7-9-15/h2-9,16-18H,10H2,1H3,(H,24,29)(H,26,27)