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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(2-hydroxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-hydroxybenzoyl)oxy-azepane-1-carboxylic acid CAS Name: 4-[(2-hydroxyphenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-hydroxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-salicyloyloxy-azepane-1-carboxylic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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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=CC=C3O

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C21H22N2O7/c24-14-9-7-13(8-10-14)19(26)22-16-12-23(21(28)29)11-3-6-18(16)30-20(27)15-4-1-2-5-17(15)25/h1-2,4-5,7-10,16,18,24-25H,3,6,11-12H2,(H,22,26)(H,28,29)