(E)-but-2-enedioic acid; 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one Openeye Name: fumaric acid; 5-[(4-phenylpiperazin-1-yl)methyl]oxazolidin-2-one CAS Name: (E)-2-butenedioic acid; 5-[(4-phenyl-1-piperazinyl)methyl]-2-oxazolidinone IUPAC Name: (E)-but-2-enedioic acid; 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one Traditional Name: fumaric acid; 5-[(4-phenylpiperazino)methyl]oxazolidin-2-one Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CNC(=O)O2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2CNC(=O)O2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H19N3O2.C4H4O4/c18-14-15-10-13(19-14)11-16-6-8-17(9-7-16)12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-5,13H,6-11H2,(H,15,18);1-2H,(H,5,6)(H,7,8)/b;2-1+