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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-[4-[(2-hydroxyphenyl)carbonylamino]phenyl]carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[(2-hydroxybenzoyl)amino]benzoyl]oxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[[4-[[(2-hydroxyphenyl)-oxomethyl]amino]phenyl]-oxomethoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[(2-hydroxybenzoyl)amino]benzoyl]oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-(salicyloylamino)benzoyl]oxy-azepane-1-carboxylic acid Formula: C28H27N3O8 MolecularWeight: 533.52928

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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=C4O

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=C4O

InChI

InChI=1S/C28H27N3O8/c32-20-13-9-17(10-14-20)25(34)30-22-16-31(28(37)38)15-3-6-24(22)39-27(36)18-7-11-19(12-8-18)29-26(35)21-4-1-2-5-23(21)33/h1-2,4-5,7-14,22,24,32-33H,3,6,15-16H2,(H,29,35)(H,30,34)(H,37,38)