2-azanyl-3-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-diisopropyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-diisopropyl-phenyl]propionic acid Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C(C)C)CC(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C(C)C)CC(C(=O)O)N

InChI

InChI=1S/C21H26BrNO4/c1-11(2)15-7-13(9-18(23)21(25)26)8-16(12(3)4)20(15)27-14-5-6-19(24)17(22)10-14/h5-8,10-12,18,24H,9,23H2,1-4H3,(H,25,26)