5-[[[5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]amino]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[[5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]amino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-hydroxy-anilino]methyl]-2-hydroxy-benzoic acid CAS Name: 5-[[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyanilino]methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyanilino]methyl]-2-hydroxybenzoic acid Traditional Name: 5-[[5-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-hydroxy-anilino]methyl]-2-hydroxy-benzoic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)NCC2=CC(=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)NCC2=CC(=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C20H26N2O5/c1-20(2,3)22-11-18(25)13-5-7-17(24)15(9-13)21-10-12-4-6-16(23)14(8-12)19(26)27/h4-9,18,21-25H,10-11H2,1-3H3,(H,26,27)