(E)-but-2-enedioic acid; 1-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(1-ethoxycarbonyl-3-phenyl-propyl)pyrrolidine-2-carboxylic acid; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: (E)-but-2-enedioic acid; 1-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(1-carbethoxy-3-phenyl-propyl)proline; fumaric acid Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2CCCC2C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2CCCC2C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23NO4.C4H4O4/c1-2-22-17(21)15(11-10-13-7-4-3-5-8-13)18-12-6-9-14(18)16(19)20;5-3(6)1-2-4(7)8/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+