3-bromanyl-5-methyl-2-[2-(3-methylphenoxy)ethylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=C(C=C(C=C2C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=C(C=C(C=C2C(=O)O)C)Br

InChI

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