ethanedioic acid; 4-(4-iodanylphenoxy)-N-(oxolan-2-ylmethyl)butan-1-amine

Systemtic Name: ethanedioic acid; 4-(4-iodanylphenoxy)-N-(oxolan-2-ylmethyl)butan-1-amine Openeye Name: 4-(4-iodophenoxy)-N-(tetrahydrofuran-2-ylmethyl)butan-1-amine; oxalic acid CAS Name: 4-(4-iodophenoxy)-N-(2-oxolanylmethyl)-1-butanamine; oxalic acid IUPAC Name: 4-(4-iodophenoxy)-N-(oxolan-2-ylmethyl)butan-1-amine; oxalic acid Traditional Name: 4-(4-iodophenoxy)butyl-(tetrahydrofurfuryl)amine; oxalic acid Formula: C17H24INO6 MolecularWeight: 465.28003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCCCCOC2=CC=C(C=C2)I.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CNCCCCOC2=CC=C(C=C2)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22INO2.C2H2O4/c16-13-5-7-14(8-6-13)18-10-2-1-9-17-12-15-4-3-11-19-15;3-1(4)2(5)6/h5-8,15,17H,1-4,9-12H2;(H,3,4)(H,5,6)