2-[2-azanylethyl-[1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-2-(4-hydroxyphenyl)ethanoic acid

Systemtic Name: 2-[2-azanylethyl-[1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-2-(4-hydroxyphenyl)ethanoic acid Openeye Name: 2-[2-aminoethyl-[2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-2-(4-hydroxyphenyl)acetic acid CAS Name: 2-[2-aminoethyl-[2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-(4-hydroxyphenyl)acetic acid IUPAC Name: 2-[2-aminoethyl-[2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-(4-hydroxyphenyl)acetic acid Traditional Name: 2-[2-aminoethyl-[2-hydroxy-1-(4-hydroxyphenyl)-2-keto-ethyl]amino]-2-(4-hydroxyphenyl)acetic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)O)N(CCN)C(C2=CC=C(C=C2)O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)O)N(CCN)C(C2=CC=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C18H20N2O6/c19-9-10-20(15(17(23)24)11-1-5-13(21)6-2-11)16(18(25)26)12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,23,24)(H,25,26)