(E)-but-2-enedioic acid; [2-[2-phenyl-4-(phenylmethyl)piperazin-1-yl]phenyl]methanol

Systemtic Name: (E)-but-2-enedioic acid; [2-[2-phenyl-4-(phenylmethyl)piperazin-1-yl]phenyl]methanol Openeye Name: [2-(4-benzyl-2-phenyl-piperazin-1-yl)phenyl]methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-[2-phenyl-4-(phenylmethyl)-1-piperazinyl]phenyl]methanol IUPAC Name: [2-(4-benzyl-2-phenylpiperazin-1-yl)phenyl]methanol; (E)-but-2-enedioic acid Traditional Name: [2-(4-benzyl-2-phenyl-piperazino)phenyl]methanol; fumaric acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4CO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4CO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H26N2O.C4H4O4/c27-19-22-13-7-8-14-23(22)26-16-15-25(17-20-9-3-1-4-10-20)18-24(26)21-11-5-2-6-12-21;5-3(6)1-2-4(7)8/h1-14,24,27H,15-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+