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

Systemtic Name: (E)-but-2-enedioic acid; 2-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]ethanamine Openeye Name: fumaric acid; 2-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]ethanamine CAS Name: (E)-2-butenedioic acid; 2-phenyl-N-[[(2S)-1-phenyl-2-pyrrolidinyl]methyl]ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]ethanamine Traditional Name: fumaric acid; phenethyl-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]amine Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=CC=C2)CNCCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C2=CC=CC=C2)CNCCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2.C4H4O4/c1-3-8-17(9-4-1)13-14-20-16-19-12-7-15-21(19)18-10-5-2-6-11-18;5-3(6)1-2-4(7)8/h1-6,8-11,19-20H,7,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-;/m0./s1