1-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(5-chloro-2-oxo-3-phenyl-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(5-chloro-2-oxo-3-phenyl-3-benzofuranyl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(5-chloro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(5-chloro-2-keto-3-phenyl-coumaran-3-yl)acetyl]proline Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC2(C3=C(C=CC(=C3)Cl)OC2=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18ClNO5/c22-14-8-9-17-15(11-14)21(20(27)28-17,13-5-2-1-3-6-13)12-18(24)23-10-4-7-16(23)19(25)26/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,25,26)