(E)-but-2-enedioic acid; 5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-yl-imidazolidine-2,4-dione

Systemtic Name: (E)-but-2-enedioic acid; 5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-yl-imidazolidine-2,4-dione Openeye Name: fumaric acid; 5-phenyl-3-[3-(4-phenyl-1-piperidyl)propyl]-5-(3-pyridyl)imidazolidine-2,4-dione CAS Name: (E)-2-butenedioic acid; 5-phenyl-3-[3-(4-phenyl-1-piperidinyl)propyl]-5-(3-pyridinyl)imidazolidine-2,4-dione IUPAC Name: (E)-but-2-enedioic acid; 5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione Traditional Name: fumaric acid; 5-phenyl-3-[3-(4-phenylpiperidino)propyl]-5-(3-pyridyl)hydantoin Formula: C32H34N4O6 MolecularWeight: 570.63556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CN=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CN=CC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H30N4O2.C4H4O4/c33-26-28(24-11-5-2-6-12-24,25-13-7-16-29-21-25)30-27(34)32(26)18-8-17-31-19-14-23(15-20-31)22-9-3-1-4-10-22;5-3(6)1-2-4(7)8/h1-7,9-13,16,21,23H,8,14-15,17-20H2,(H,30,34);1-2H,(H,5,6)(H,7,8)/b;2-1+