(E)-but-2-enedioic acid; 4-(phenylmethyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(phenylmethyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidine Openeye Name: 4-benzyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(phenylmethyl)-1-[(1-phenyl-3-pyrrolyl)methyl]piperidine IUPAC Name: 4-benzyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine; (E)-but-2-enedioic acid Traditional Name: 4-benzyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine; fumaric acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3=CN(C=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3=CN(C=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26N2.C4H4O4/c1-3-7-20(8-4-1)17-21-11-14-24(15-12-21)18-22-13-16-25(19-22)23-9-5-2-6-10-23;5-3(6)1-2-4(7)8/h1-10,13,16,19,21H,11-12,14-15,17-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+