2-[2-(4-bromanylphenoxy)ethylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethylamino]-5-methyl-benzoic acid Openeye Name: 2-[2-(4-bromophenoxy)ethylamino]-5-methyl-benzoic acid CAS Name: 2-[2-(4-bromophenoxy)ethylamino]-5-methylbenzoic acid IUPAC Name: 2-[2-(4-bromophenoxy)ethylamino]-5-methylbenzoic acid Traditional Name: 2-[2-(4-bromophenoxy)ethylamino]-5-methyl-benzoic acid Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCOC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCOC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H16BrNO3/c1-11-2-7-15(14(10-11)16(19)20)18-8-9-21-13-5-3-12(17)4-6-13/h2-7,10,18H,8-9H2,1H3,(H,19,20)