methyl 5-bromanyl-2-[4-(3,4-dimethylphenoxy)butylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[4-(3,4-dimethylphenoxy)butylamino]benzoate Openeye Name: methyl 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoate CAS Name: 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoate Traditional Name: 5-bromo-2-[4-(3,4-dimethylphenoxy)butylamino]benzoic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3/c1-14-6-8-17(12-15(14)2)25-11-5-4-10-22-19-9-7-16(21)13-18(19)20(23)24-3/h6-9,12-13,22H,4-5,10-11H2,1-3H3