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

Systemtic Name: 3-azanyl-3-[3,5-bis(bromanyl)-4-prop-2-enoxy-phenyl]propanoic acid Openeye Name: 3-(4-allyloxy-3,5-dibromo-phenyl)-3-amino-propanoic acid CAS Name: 3-amino-3-(3,5-dibromo-4-prop-2-enoxyphenyl)propanoic acid IUPAC Name: 3-amino-3-(3,5-dibromo-4-prop-2-enoxyphenyl)propanoic acid Traditional Name: 3-(4-allyloxy-3,5-dibromo-phenyl)-3-amino-propionic acid Formula: C12H13Br2NO3 MolecularWeight: 379.04452

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1Br)C(CC(=O)O)N)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1Br)C(CC(=O)O)N)Br

InChI

InChI=1S/C12H13Br2NO3/c1-2-3-18-12-8(13)4-7(5-9(12)14)10(15)6-11(16)17/h2,4-5,10H,1,3,6,15H2,(H,16,17)