(E)-but-2-enedioic acid; 4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one Openeye Name: fumaric acid; 4-isobutyl-5-phenyl-3-[3-(1-piperidyl)propyl]oxazolidin-2-one CAS Name: (E)-2-butenedioic acid; 4-(2-methylpropyl)-5-phenyl-3-[3-(1-piperidinyl)propyl]-2-oxazolidinone IUPAC Name: (E)-but-2-enedioic acid; 4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one Traditional Name: fumaric acid; 4-isobutyl-5-phenyl-3-(3-piperidinopropyl)oxazolidin-2-one Formula: C25H36N2O6 MolecularWeight: 460.56314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(OC(=O)N1CCCN2CCCCC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1C(OC(=O)N1CCCN2CCCCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H32N2O2.C4H4O4/c1-17(2)16-19-20(18-10-5-3-6-11-18)25-21(24)23(19)15-9-14-22-12-7-4-8-13-22;5-3(6)1-2-4(7)8/h3,5-6,10-11,17,19-20H,4,7-9,12-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+