(E)-but-2-enedioic acid; 4-chloranyl-N-(1-methylpyrrolidin-3-yl)-N-phenyl-benzamide

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-N-(1-methylpyrrolidin-3-yl)-N-phenyl-benzamide Openeye Name: 4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenyl-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-N-(1-methyl-3-pyrrolidinyl)-N-phenylbenzamide IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide Traditional Name: 4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenyl-benzamide; fumaric acid Formula: C22H23ClN2O5 MolecularWeight: 430.88142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O.C4H4O4/c1-20-12-11-17(13-20)21(16-5-3-2-4-6-16)18(22)14-7-9-15(19)10-8-14;5-3(6)1-2-4(7)8/h2-10,17H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+