3-[[4-azanyl-2,2-bis(fluoranyl)-3-oxidanyl-5-phenyl-pentanoyl]amino]benzoic acid

Systemtic Name: 3-[[4-azanyl-2,2-bis(fluoranyl)-3-oxidanyl-5-phenyl-pentanoyl]amino]benzoic acid Openeye Name: 3-[(4-amino-2,2-difluoro-3-hydroxy-5-phenyl-pentanoyl)amino]benzoic acid CAS Name: 3-[(4-amino-2,2-difluoro-3-hydroxy-1-oxo-5-phenylpentyl)amino]benzoic acid IUPAC Name: 3-[(4-amino-2,2-difluoro-3-hydroxy-5-phenylpentanoyl)amino]benzoic acid Traditional Name: 3-[(4-amino-2,2-difluoro-3-hydroxy-5-phenyl-pentanoyl)amino]benzoic acid Formula: C18H18F2N2O4 MolecularWeight: 364.343326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(C(=O)NC2=CC=CC(=C2)C(=O)O)(F)F)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(C(=O)NC2=CC=CC(=C2)C(=O)O)(F)F)O)N

InChI

InChI=1S/C18H18F2N2O4/c19-18(20,15(23)14(21)9-11-5-2-1-3-6-11)17(26)22-13-8-4-7-12(10-13)16(24)25/h1-8,10,14-15,23H,9,21H2,(H,22,26)(H,24,25)