4-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]benzoic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-12(17(21)14-6-8-16(20)9-7-14)19-11-10-13-2-4-15(5-3-13)18(22)23/h2-9,12,17,19-21H,10-11H2,1H3,(H,22,23)