5-bromanyl-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid Openeye Name: 5-bromo-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H22BrNO3/c1-13-6-5-7-14(2)18(13)24-11-4-3-10-21-17-9-8-15(20)12-16(17)19(22)23/h5-9,12,21H,3-4,10-11H2,1-2H3,(H,22,23)