4-(aminomethyl)-1-(phenylmethyl)pyrrolidin-2-one; (E)-but-2-enedioic acid

Systemtic Name: 4-(aminomethyl)-1-(phenylmethyl)pyrrolidin-2-one; (E)-but-2-enedioic acid Openeye Name: 4-(aminomethyl)-1-benzyl-pyrrolidin-2-one; fumaric acid CAS Name: 4-(aminomethyl)-1-(phenylmethyl)-2-pyrrolidinone; (E)-2-butenedioic acid IUPAC Name: 4-(aminomethyl)-1-benzylpyrrolidin-2-one; (E)-but-2-enedioic acid Traditional Name: 4-(aminomethyl)-1-benzyl-2-pyrrolidone; fumaric acid Formula: C28H36N4O6 MolecularWeight: 524.60864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2)CN.C1C(CN(C1=O)CC2=CC=CC=C2)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=CC=C2)CN.C1C(CN(C1=O)CC2=CC=CC=C2)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C12H16N2O.C4H4O4/c2*13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10;5-3(6)1-2-4(7)8/h2*1-5,11H,6-9,13H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+