4-azanyl-4-(2-bromanyl-4,5-diethoxy-phenyl)butanoic acid

Systemtic Name: 4-azanyl-4-(2-bromanyl-4,5-diethoxy-phenyl)butanoic acid Openeye Name: 4-amino-4-(2-bromo-4,5-diethoxy-phenyl)butanoic acid CAS Name: 4-amino-4-(2-bromo-4,5-diethoxyphenyl)butanoic acid IUPAC Name: 4-amino-4-(2-bromo-4,5-diethoxyphenyl)butanoic acid Traditional Name: 4-amino-4-(2-bromo-4,5-diethoxy-phenyl)butyric acid Formula: C14H20BrNO4 MolecularWeight: 346.2169

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(CCC(=O)O)N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(CCC(=O)O)N)Br)OCC

InChI

InChI=1S/C14H20BrNO4/c1-3-19-12-7-9(11(16)5-6-14(17)18)10(15)8-13(12)20-4-2/h7-8,11H,3-6,16H2,1-2H3,(H,17,18)