2-[[2-[2-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]ethoxy]ethylamino]oxymethyl]-4-oxidanyl-benzoic acid

Systemtic Name: 2-[[2-[2-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]ethoxy]ethylamino]oxymethyl]-4-oxidanyl-benzoic acid Openeye Name: 2-[[2-[2-[(2-carboxy-5-hydroxy-benzoyl)amino]ethoxy]ethylamino]oxymethyl]-4-hydroxy-benzoic acid CAS Name: 2-[[2-[2-[[(2-carboxy-5-hydroxyphenyl)-oxomethyl]amino]ethoxy]ethylamino]oxymethyl]-4-hydroxybenzoic acid IUPAC Name: 2-[[2-[2-[(2-carboxy-5-hydroxybenzoyl)amino]ethoxy]ethylamino]oxymethyl]-4-hydroxybenzoic acid Traditional Name: 2-[[2-[2-[(2-carboxy-5-hydroxy-benzoyl)amino]ethoxy]ethylamino]oxymethyl]-4-hydroxy-benzoic acid Formula: C20H22N2O9 MolecularWeight: 434.39668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)CONCCOCCNC(=O)C2=C(C=CC(=C2)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1O)CONCCOCCNC(=O)C2=C(C=CC(=C2)O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H22N2O9/c23-13-1-3-15(19(26)27)12(9-13)11-31-22-6-8-30-7-5-21-18(25)17-10-14(24)2-4-16(17)20(28)29/h1-4,9-10,22-24H,5-8,11H2,(H,21,25)(H,26,27)(H,28,29)