3-(4-bromanylthiophen-3-yl)-3-(6-iodanylnaphthalen-2-yl)oxy-N,N-dimethyl-propan-1-amine; propanedioic acid

Systemtic Name: 3-(4-bromanylthiophen-3-yl)-3-(6-iodanylnaphthalen-2-yl)oxy-N,N-dimethyl-propan-1-amine; propanedioic acid Openeye Name: 3-(4-bromo-3-thienyl)-3-[(6-iodo-2-naphthyl)oxy]-N,N-dimethyl-propan-1-amine; malonic acid CAS Name: 3-(4-bromo-3-thiophenyl)-3-[(6-iodo-2-naphthalenyl)oxy]-N,N-dimethyl-1-propanamine; propanedioic acid IUPAC Name: 3-(4-bromothiophen-3-yl)-3-(6-iodonaphthalen-2-yl)oxy-N,N-dimethylpropan-1-amine; propanedioic acid Traditional Name: [3-(4-bromo-3-thienyl)-3-(6-iodo-2-naphthoxy)propyl]-dimethyl-amine; malonic acid Formula: C22H23BrINO5S MolecularWeight: 620.29519

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CSC=C1Br)OC2=CC3=C(C=C2)C=C(C=C3)I.C(C(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C1=CSC=C1Br)OC2=CC3=C(C=C2)C=C(C=C3)I.C(C(=O)O)C(=O)O

InChI

InChI=1S/C19H19BrINOS.C3H4O4/c1-22(2)8-7-19(17-11-24-12-18(17)20)23-16-6-4-13-9-15(21)5-3-14(13)10-16;4-2(5)1-3(6)7/h3-6,9-12,19H,7-8H2,1-2H3;1H2,(H,4,5)(H,6,7)