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

Systemtic Name: 5-bromanyl-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid Openeye Name: 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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