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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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