3-[[4-(4-fluorophenyl)carbonyloxyphenyl]carbonylamino]-4-(4-hydroxyphenyl)carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[[4-(4-fluorophenyl)carbonyloxyphenyl]carbonylamino]-4-(4-hydroxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[[4-(4-fluorobenzoyl)oxybenzoyl]amino]-4-(4-hydroxybenzoyl)oxy-azepane-1-carboxylic acid CAS Name: 3-[[[4-[(4-fluorophenyl)-oxomethoxy]phenyl]-oxomethyl]amino]-4-[(4-hydroxyphenyl)-oxomethoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[[4-(4-fluorobenzoyl)oxybenzoyl]amino]-4-(4-hydroxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[[4-(4-fluorobenzoyl)oxybenzoyl]amino]-4-(4-hydroxybenzoyl)oxy-azepane-1-carboxylic acid Formula: C28H25FN2O8 MolecularWeight: 536.505103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C28H25FN2O8/c29-20-9-3-18(4-10-20)26(34)38-22-13-7-17(8-14-22)25(33)30-23-16-31(28(36)37)15-1-2-24(23)39-27(35)19-5-11-21(32)12-6-19/h3-14,23-24,32H,1-2,15-16H2,(H,30,33)(H,36,37)