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

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(2-phenoxyphenyl)ethyl]morpholine Openeye Name: fumaric acid; 2-[2-(2-phenoxyphenyl)ethyl]morpholine CAS Name: (E)-2-butenedioic acid; 2-[2-(2-phenoxyphenyl)ethyl]morpholine IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(2-phenoxyphenyl)ethyl]morpholine Traditional Name: fumaric acid; 2-[2-(2-phenoxyphenyl)ethyl]morpholine Formula: C40H46N2O8 MolecularWeight: 682.80184

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1)CCC2=CC=CC=C2OC3=CC=CC=C3.C1COC(CN1)CCC2=CC=CC=C2OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COC(CN1)CCC2=CC=CC=C2OC3=CC=CC=C3.C1COC(CN1)CCC2=CC=CC=C2OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C18H21NO2.C4H4O4/c2*1-2-7-16(8-3-1)21-18-9-5-4-6-15(18)10-11-17-14-19-12-13-20-17;5-3(6)1-2-4(7)8/h2*1-9,17,19H,10-14H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+