5-bromanyl-2-[2-(3,4-dimethylphenoxy)ethylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(3,4-dimethylphenoxy)ethylamino]benzoic acid Openeye Name: 5-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]benzoic acid CAS Name: 5-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]benzoic acid IUPAC Name: 5-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]benzoic acid Traditional Name: 5-bromo-2-[2-(3,4-dimethylphenoxy)ethylamino]benzoic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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