ethanedioic acid; N'-[4-(4-phenylmethoxyphenoxy)butyl]ethane-1,2-diamine

Systemtic Name: ethanedioic acid; N'-[4-(4-phenylmethoxyphenoxy)butyl]ethane-1,2-diamine Openeye Name: N'-[4-(4-benzyloxyphenoxy)butyl]ethane-1,2-diamine; oxalic acid CAS Name: oxalic acid; N'-[4-(4-phenylmethoxyphenoxy)butyl]ethane-1,2-diamine IUPAC Name: oxalic acid; N'-[4-(4-phenylmethoxyphenoxy)butyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[4-(4-benzoxyphenoxy)butyl]amine; oxalic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCNCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCNCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N2O2.C2H2O4/c20-12-14-21-13-4-5-15-22-18-8-10-19(11-9-18)23-16-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-3,6-11,21H,4-5,12-16,20H2;(H,3,4)(H,5,6)