(E)-but-2-enedioic acid; 3-(diphenylmethyl)-1-methyl-pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 3-(diphenylmethyl)-1-methyl-pyrrolidine Openeye Name: 3-benzhydryl-1-methyl-pyrrolidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(diphenylmethyl)-1-methylpyrrolidine IUPAC Name: 3-benzhydryl-1-methylpyrrolidine; (E)-but-2-enedioic acid Traditional Name: 3-benzhydryl-1-methyl-pyrrolidine; fumaric acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21N.C4H4O4/c1-19-13-12-17(14-19)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16;5-3(6)1-2-4(7)8/h2-11,17-18H,12-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+