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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-[4-[(2-hydroxyphenyl)carbonyl-methyl-amino]phenyl]carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[(2-hydroxybenzoyl)-methyl-amino]benzoyl]oxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[[4-[[(2-hydroxyphenyl)-oxomethyl]-methylamino]phenyl]-oxomethoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[(2-hydroxybenzoyl)-methylamino]benzoyl]oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[methyl(salicyloyl)amino]benzoyl]oxy-azepane-1-carboxylic acid Formula: C29H29N3O8 MolecularWeight: 547.55586

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)OC2CCCN(CC2NC(=O)C3=CC=C(C=C3)O)C(=O)O)C(=O)C4=CC=CC=C4O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)OC2CCCN(CC2NC(=O)C3=CC=C(C=C3)O)C(=O)O)C(=O)C4=CC=CC=C4O

InChI

InChI=1S/C29H29N3O8/c1-31(27(36)22-5-2-3-6-24(22)34)20-12-8-19(9-13-20)28(37)40-25-7-4-16-32(29(38)39)17-23(25)30-26(35)18-10-14-21(33)15-11-18/h2-3,5-6,8-15,23,25,33-34H,4,7,16-17H2,1H3,(H,30,35)(H,38,39)