ethanedioic acid; 4-(4-phenylmethoxyphenoxy)-N-prop-2-enyl-butan-1-amine

Systemtic Name: ethanedioic acid; 4-(4-phenylmethoxyphenoxy)-N-prop-2-enyl-butan-1-amine Openeye Name: N-allyl-4-(4-benzyloxyphenoxy)butan-1-amine; oxalic acid CAS Name: oxalic acid; 4-(4-phenylmethoxyphenoxy)-N-prop-2-enyl-1-butanamine IUPAC Name: oxalic acid; 4-(4-phenylmethoxyphenoxy)-N-prop-2-enylbutan-1-amine Traditional Name: allyl-[4-(4-benzoxyphenoxy)butyl]amine; oxalic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCNCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO2.C2H2O4/c1-2-14-21-15-6-7-16-22-19-10-12-20(13-11-19)23-17-18-8-4-3-5-9-18;3-1(4)2(5)6/h2-5,8-13,21H,1,6-7,14-17H2;(H,3,4)(H,5,6)