(E)-but-2-enedioic acid; N-(1-phenethylpyrrolidin-3-yl)-N-phenyl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-phenethylpyrrolidin-3-yl)-N-phenyl-propanamide Openeye Name: fumaric acid; N-(1-phenethylpyrrolidin-3-yl)-N-phenyl-propanamide CAS Name: (E)-2-butenedioic acid; N-(1-phenethyl-3-pyrrolidinyl)-N-phenylpropanamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-phenethylpyrrolidin-3-yl)-N-phenylpropanamide Traditional Name: fumaric acid; N-(1-phenethylpyrrolidin-3-yl)-N-phenyl-propionamide Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2O.C4H4O4/c1-2-21(24)23(19-11-7-4-8-12-19)20-14-16-22(17-20)15-13-18-9-5-3-6-10-18;5-3(6)1-2-4(7)8/h3-12,20H,2,13-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+