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

Systemtic Name: 3-bromanyl-2-[2-(2,6-dimethylphenoxy)ethylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[2-(2,6-dimethylphenoxy)ethylamino]-5-methyl-benzoic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-11-9-14(18(21)22)16(15(19)10-11)20-7-8-23-17-12(2)5-4-6-13(17)3/h4-6,9-10,20H,7-8H2,1-3H3,(H,21,22)