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

Systemtic Name: 2-azanyl-3-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-di(butan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-disec-butyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-di(butan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(3-bromo-4-hydroxyphenoxy)-3,5-di(butan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-disec-butyl-phenyl]propionic acid Formula: C23H30BrNO4 MolecularWeight: 464.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO4/c1-5-13(3)17-9-15(11-20(25)23(27)28)10-18(14(4)6-2)22(17)29-16-7-8-21(26)19(24)12-16/h7-10,12-14,20,26H,5-6,11,25H2,1-4H3,(H,27,28)