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

Systemtic Name: 3-[[4-(4-fluorophenyl)carbonyloxyphenyl]carbonylamino]-4-(4-phenylmethoxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-(4-benzyloxybenzoyl)oxy-3-[[4-(4-fluorobenzoyl)oxybenzoyl]amino]azepane-1-carboxylic acid CAS Name: 3-[[[4-[(4-fluorophenyl)-oxomethoxy]phenyl]-oxomethyl]amino]-4-[oxo-(4-phenylmethoxyphenyl)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[[4-(4-fluorobenzoyl)oxybenzoyl]amino]-4-(4-phenylmethoxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 4-(4-benzoxybenzoyl)oxy-3-[[4-(4-fluorobenzoyl)oxybenzoyl]amino]azepane-1-carboxylic acid Formula: C35H31FN2O8 MolecularWeight: 626.627643

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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)OCC5=CC=CC=C5

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)OCC5=CC=CC=C5

InChI

InChI=1S/C35H31FN2O8/c36-27-14-8-25(9-15-27)33(40)45-29-18-10-24(11-19-29)32(39)37-30-21-38(35(42)43)20-4-7-31(30)46-34(41)26-12-16-28(17-13-26)44-22-23-5-2-1-3-6-23/h1-3,5-6,8-19,30-31H,4,7,20-22H2,(H,37,39)(H,42,43)