ethanedioic acid; 2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine Openeye Name: oxalic acid; 2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine CAS Name: oxalic acid; 2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine IUPAC Name: oxalic acid; 2-phenoxy-N-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]ethanamine Traditional Name: oxalic acid; 2-phenoxyethyl-[[(2R,5R)-5-phenyl-1,4-dioxan-2-yl]methyl]amine Formula: C21H25NO7 MolecularWeight: 403.4257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC(O1)C2=CC=CC=C2)CNCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1[C@H](OC[C@H](O1)C2=CC=CC=C2)CNCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO3.C2H2O4/c1-3-7-16(8-4-1)19-15-22-18(14-23-19)13-20-11-12-21-17-9-5-2-6-10-17;3-1(4)2(5)6/h1-10,18-20H,11-15H2;(H,3,4)(H,5,6)/t18-,19+;/m1./s1