2-[2-(dimethylamino)-4-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(dimethylamino)-4-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]phenoxy]ethanoic acid Openeye Name: 2-[2-(dimethylamino)-4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]phenoxy]acetic acid CAS Name: 2-[2-(dimethylamino)-4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetic acid IUPAC Name: 2-[2-(dimethylamino)-4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetic acid Traditional Name: 2-[2-(dimethylamino)-4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]phenoxy]acetic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC(=C(C=C2)OCC(=O)O)N(C)C

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC(=C(C=C2)OCC(=O)O)N(C)C

InChI

InChI=1S/C21H28N2O5/c1-14(21(27)16-5-7-17(24)8-6-16)22-11-10-15-4-9-19(28-13-20(25)26)18(12-15)23(2)3/h4-9,12,14,21-22,24,27H,10-11,13H2,1-3H3,(H,25,26)