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

Systemtic Name: 4-(aminomethyl)-1-(phenylmethyl)pyrrolidin-2-one; (E)-but-2-enedioate Openeye Name: 4-(aminomethyl)-1-benzyl-pyrrolidin-2-one; (E)-but-2-enedioate CAS Name: 4-(aminomethyl)-1-(phenylmethyl)-2-pyrrolidinone; (E)-2-butenedioate IUPAC Name: 4-(aminomethyl)-1-benzylpyrrolidin-2-one; (E)-but-2-enedioate Traditional Name: 4-(aminomethyl)-1-benzyl-2-pyrrolidone fumarate Formula: C28H34N4O6-2 MolecularWeight: 522.59276

Click to see the large picture

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)/p-2/b;;2-1+