(E)-but-2-enedioic acid; 1-[(4-methylphenyl)methyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-[(4-methylphenyl)methyl]piperazine Openeye Name: fumaric acid; 1-(p-tolylmethyl)piperazine CAS Name: (E)-2-butenedioic acid; 1-[(4-methylphenyl)methyl]piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-[(4-methylphenyl)methyl]piperazine Traditional Name: fumaric acid; 1-(4-methylbenzyl)piperazine Formula: C20H26N2O8 MolecularWeight: 422.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCNCC2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCNCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2.2C4H4O4/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14;2*5-3(6)1-2-4(7)8/h2-5,13H,6-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+