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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-[4-[(2-phenylmethoxyphenyl)carbonylamino]phenyl]carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-[4-[(2-benzyloxybenzoyl)amino]benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-[4-[[oxo-(2-phenylmethoxyphenyl)methyl]amino]phenyl]methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[(2-phenylmethoxybenzoyl)amino]benzoyl]oxyazepane-1-carboxylic acid Traditional Name: 4-[4-[(2-benzoxybenzoyl)amino]benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C35H33N3O8 MolecularWeight: 623.65182

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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=CC=C(C=C3)NC(=O)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C35H33N3O8/c39-27-18-14-24(15-19-27)32(40)37-29-21-38(35(43)44)20-6-11-31(29)46-34(42)25-12-16-26(17-13-25)36-33(41)28-9-4-5-10-30(28)45-22-23-7-2-1-3-8-23/h1-5,7-10,12-19,29,31,39H,6,11,20-22H2,(H,36,41)(H,37,40)(H,43,44)