[3,5-bis(fluoranyl)phenyl]methyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate

Systemtic Name: [3,5-bis(fluoranyl)phenyl]methyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate Openeye Name: (3,5-difluorophenyl)methyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxo-propyl]-2-phenyl-7-(2-phenylethynyl)benzofuran-3-carboxylate CAS Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-3-benzofurancarboxylic acid (3,5-difluorophenyl)methyl ester IUPAC Name: (3,5-difluorophenyl)methyl 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-oxopropyl]-2-phenyl-7-(2-phenylethynyl)-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-2-acetamido-3-(2-hydroxyethylamino)-3-keto-propyl]-2-phenyl-7-(2-phenylethynyl)benzofuran-3-carboxylic acid (3,5-difluorobenzyl) ester Formula: C37H30F2N2O6 MolecularWeight: 636.640706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC2=C(C(=C1)C#CC3=CC=CC=C3)OC(=C2C(=O)OCC4=CC(=CC(=C4)F)F)C5=CC=CC=C5)C(=O)NCCO

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC2=C(C(=C1)C#CC3=CC=CC=C3)OC(=C2C(=O)OCC4=CC(=CC(=C4)F)F)C5=CC=CC=C5)C(=O)NCCO

InChI

InChI=1S/C37H30F2N2O6/c1-23(43)41-32(36(44)40-14-15-42)20-25-16-28(13-12-24-8-4-2-5-9-24)34-31(19-25)33(35(47-34)27-10-6-3-7-11-27)37(45)46-22-26-17-29(38)21-30(39)18-26/h2-11,16-19,21,32,42H,14-15,20,22H2,1H3,(H,40,44)(H,41,43)/t32-/m0/s1