(E)-but-2-enedioate; 2-(morpholin-2-ylmethoxy)-1-phenyl-ethanol

Systemtic Name: (E)-but-2-enedioate; 2-(morpholin-2-ylmethoxy)-1-phenyl-ethanol Openeye Name: (E)-but-2-enedioate; 2-(morpholin-2-ylmethoxy)-1-phenyl-ethanol CAS Name: (E)-2-butenedioate; 2-(2-morpholinylmethoxy)-1-phenylethanol IUPAC Name: (E)-but-2-enedioate; 2-(morpholin-2-ylmethoxy)-1-phenylethanol Traditional Name: 2-(morpholin-2-ylmethoxy)-1-phenyl-ethanol fumarate Formula: C30H40N2O10-2 MolecularWeight: 588.646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1)COCC(C2=CC=CC=C2)O.C1COC(CN1)COCC(C2=CC=CC=C2)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COC(CN1)COCC(C2=CC=CC=C2)O.C1COC(CN1)COCC(C2=CC=CC=C2)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C13H19NO3.C4H4O4/c2*15-13(11-4-2-1-3-5-11)10-16-9-12-8-14-6-7-17-12;5-3(6)1-2-4(7)8/h2*1-5,12-15H,6-10H2;1-2H,(H,5,6)(H,7,8)/p-2/b;;2-1+