2-azanyl-3-[3,5-bis(bromanyl)-4-(4-oxidanylcyclohexyl)oxy-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-4-(4-oxidanylcyclohexyl)oxy-phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxycyclohexoxy)phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxycyclohexyl)oxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxycyclohexyl)oxyphenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dibromo-4-(4-hydroxycyclohexoxy)phenyl]propionic acid Formula: C15H19Br2NO4 MolecularWeight: 437.12366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1O)OC2=C(C=C(C=C2Br)CC(C(=O)O)N)Br

Isomeric SMILES

C1CC(CCC1O)OC2=C(C=C(C=C2Br)CC(C(=O)O)N)Br

InChI

InChI=1S/C15H19Br2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h5-6,9-10,13,19H,1-4,7,18H2,(H,20,21)