2-[[1-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]butylamino]oxymethyl]-4-oxidanyl-benzoic acid

Systemtic Name: 2-[[1-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]butylamino]oxymethyl]-4-oxidanyl-benzoic acid Openeye Name: 2-[[1-[(2-carboxy-5-hydroxy-benzoyl)amino]butylamino]oxymethyl]-4-hydroxy-benzoic acid CAS Name: 2-[[1-[[(2-carboxy-5-hydroxyphenyl)-oxomethyl]amino]butylamino]oxymethyl]-4-hydroxybenzoic acid IUPAC Name: 2-[[1-[(2-carboxy-5-hydroxybenzoyl)amino]butylamino]oxymethyl]-4-hydroxybenzoic acid Traditional Name: 2-[[1-[(2-carboxy-5-hydroxy-benzoyl)amino]butylamino]oxymethyl]-4-hydroxy-benzoic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=C(C=CC(=C1)O)C(=O)O)NOCC2=C(C=CC(=C2)O)C(=O)O

Isomeric SMILES

CCCC(NC(=O)C1=C(C=CC(=C1)O)C(=O)O)NOCC2=C(C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C20H22N2O8/c1-2-3-17(21-18(25)16-9-13(24)5-7-15(16)20(28)29)22-30-10-11-8-12(23)4-6-14(11)19(26)27/h4-9,17,22-24H,2-3,10H2,1H3,(H,21,25)(H,26,27)(H,28,29)