(E)-but-2-enedioic acid; N-methyl-2-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]ethanamine Openeye Name: fumaric acid; N-methyl-2-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]ethanamine CAS Name: (E)-2-butenedioic acid; N-methyl-2-phenyl-N-[(1-phenyl-2-pyrrolidinyl)methyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]ethanamine Traditional Name: fumaric acid; methyl-phenethyl-[(1-phenylpyrrolidin-2-yl)methyl]amine Formula: C24H30N2O4 MolecularWeight: 410.506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2CCCN2C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2CCCN2C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26N2.C4H4O4/c1-21(16-14-18-9-4-2-5-10-18)17-20-13-8-15-22(20)19-11-6-3-7-12-19;5-3(6)1-2-4(7)8/h2-7,9-12,20H,8,13-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+