methyl 5-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]benzoate Openeye Name: methyl 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoate CAS Name: 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoate Traditional Name: 5-bromo-2-[4-(4-tert-butylphenoxy)butylamino]benzoic acid methyl ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO3/c1-22(2,3)16-7-10-18(11-8-16)27-14-6-5-13-24-20-12-9-17(23)15-19(20)21(25)26-4/h7-12,15,24H,5-6,13-14H2,1-4H3