(E)-but-2-enedioic acid; 1-(diphenylmethyl)-4-[(2-methyl-5-phenyl-1H-pyrrol-3-yl)methyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(diphenylmethyl)-4-[(2-methyl-5-phenyl-1H-pyrrol-3-yl)methyl]piperazine Openeye Name: 1-benzhydryl-4-[(2-methyl-5-phenyl-1H-pyrrol-3-yl)methyl]piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(diphenylmethyl)-4-[(2-methyl-5-phenyl-1H-pyrrol-3-yl)methyl]piperazine IUPAC Name: 1-benzhydryl-4-[(2-methyl-5-phenyl-1H-pyrrol-3-yl)methyl]piperazine; (E)-but-2-enedioic acid Traditional Name: 1-benzhydryl-4-[(2-methyl-5-phenyl-1H-pyrrol-3-yl)methyl]piperazine; fumaric acid Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C2=CC=CC=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1)C2=CC=CC=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C29H31N3.C4H4O4/c1-23-27(21-28(30-23)24-11-5-2-6-12-24)22-31-17-19-32(20-18-31)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26;5-3(6)1-2-4(7)8/h2-16,21,29-30H,17-20,22H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+