5-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid Openeye Name: 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO3/c1-21(2,3)15-6-9-17(10-7-15)26-13-5-4-12-23-19-11-8-16(22)14-18(19)20(24)25/h6-11,14,23H,4-5,12-13H2,1-3H3,(H,24,25)