(E)-but-2-enedioic acid; 2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoic acid

Systemtic Name: (E)-but-2-enedioic acid; 2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoic acid Openeye Name: 2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic acid; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid IUPAC Name: (E)-but-2-enedioic acid; 2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid Traditional Name: 2-[(1-carbethoxy-3-phenyl-propyl)amino]propionic acid; fumaric acid Formula: C19H25NO8 MolecularWeight: 395.4037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21NO4.C4H4O4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12;5-3(6)1-2-4(7)8/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+