4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(5-fluoro-2-hydroxy-benzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[(5-fluoro-2-hydroxyphenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-(5-fluoro-2-hydroxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(5-fluoro-2-hydroxy-benzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C21H21FN2O7 MolecularWeight: 432.399043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C21H21FN2O7/c22-13-5-8-17(26)15(10-13)20(28)31-18-2-1-9-24(21(29)30)11-16(18)23-19(27)12-3-6-14(25)7-4-12/h3-8,10,16,18,25-26H,1-2,9,11H2,(H,23,27)(H,29,30)