5-bromanyl-2-[2-(2,6-dimethylphenoxy)ethylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(2,6-dimethylphenoxy)ethylamino]benzoic acid Openeye Name: 5-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]benzoic acid CAS Name: 5-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]benzoic acid IUPAC Name: 5-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]benzoic acid Traditional Name: 5-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]benzoic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H18BrNO3/c1-11-4-3-5-12(2)16(11)22-9-8-19-15-7-6-13(18)10-14(15)17(20)21/h3-7,10,19H,8-9H2,1-2H3,(H,20,21)