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

Systemtic Name: 5-bromanyl-2-[4-(4-methoxyphenoxy)butylamino]benzoic acid Openeye Name: 5-bromo-2-[4-(4-methoxyphenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(4-methoxyphenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(4-methoxyphenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(4-methoxyphenoxy)butylamino]benzoic acid Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H20BrNO4/c1-23-14-5-7-15(8-6-14)24-11-3-2-10-20-17-9-4-13(19)12-16(17)18(21)22/h4-9,12,20H,2-3,10-11H2,1H3,(H,21,22)