(E)-but-2-enedioic acid; 2-[(3-methylphenyl)methoxymethyl]morpholine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(3-methylphenyl)methoxymethyl]morpholine Openeye Name: fumaric acid; 2-(m-tolylmethoxymethyl)morpholine CAS Name: (E)-2-butenedioic acid; 2-[(3-methylphenyl)methoxymethyl]morpholine IUPAC Name: (E)-but-2-enedioic acid; 2-[(3-methylphenyl)methoxymethyl]morpholine Traditional Name: fumaric acid; 2-[(3-methylbenzyl)oxymethyl]morpholine Formula: C17H23NO6 MolecularWeight: 337.36762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COCC2CNCCO2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)COCC2CNCCO2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19NO2.C4H4O4/c1-11-3-2-4-12(7-11)9-15-10-13-8-14-5-6-16-13;5-3(6)1-2-4(7)8/h2-4,7,13-14H,5-6,8-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+