(E)-but-2-enedioic acid; 1-methyl-3-[2-(phenylmethyl)phenyl]-2,5-dihydropyrrole

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-[2-(phenylmethyl)phenyl]-2,5-dihydropyrrole Openeye Name: 3-(2-benzylphenyl)-1-methyl-2,5-dihydropyrrole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-methyl-3-[2-(phenylmethyl)phenyl]-2,5-dihydropyrrole IUPAC Name: 3-(2-benzylphenyl)-1-methyl-2,5-dihydropyrrole; (E)-but-2-enedioic acid Traditional Name: 3-(2-benzylphenyl)-1-methyl-3-pyrroline; fumaric acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C1)C2=CC=CC=C2CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC=C(C1)C2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19N.C4H4O4/c1-19-12-11-17(14-19)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15;5-3(6)1-2-4(7)8/h2-11H,12-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+