(E)-but-2-enedioic acid; 1-phenyl-4-[(3-phenylphenyl)methyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-phenyl-4-[(3-phenylphenyl)methyl]piperazine Openeye Name: fumaric acid; 1-phenyl-4-[(3-phenylphenyl)methyl]piperazine CAS Name: (E)-2-butenedioic acid; 1-phenyl-4-[(3-phenylphenyl)methyl]piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-phenyl-4-[(3-phenylphenyl)methyl]piperazine Traditional Name: fumaric acid; 1-phenyl-4-(3-phenylbenzyl)piperazine Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H24N2.C4H4O4/c1-3-9-21(10-4-1)22-11-7-8-20(18-22)19-24-14-16-25(17-15-24)23-12-5-2-6-13-23;5-3(6)1-2-4(7)8/h1-13,18H,14-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+