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

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(2-methylphenyl)ethyl]morpholine Openeye Name: fumaric acid; 2-[2-(o-tolyl)ethyl]morpholine CAS Name: (E)-2-butenedioic acid; 2-[2-(2-methylphenyl)ethyl]morpholine IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(2-methylphenyl)ethyl]morpholine Traditional Name: fumaric acid; 2-[2-(o-tolyl)ethyl]morpholine Formula: C30H42N2O6 MolecularWeight: 526.66428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CNCCO2.CC1=CC=CC=C1CCC2CNCCO2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC2CNCCO2.CC1=CC=CC=C1CCC2CNCCO2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C13H19NO.C4H4O4/c2*1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13;5-3(6)1-2-4(7)8/h2*2-5,13-14H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+