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

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-N-(1-ethyl-4-oxidanyl-pyrrolidin-3-yl)-N-phenyl-benzamide Openeye Name: 4-chloro-N-(1-ethyl-4-hydroxy-pyrrolidin-3-yl)-N-phenyl-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-N-(1-ethyl-4-hydroxy-3-pyrrolidinyl)-N-phenylbenzamide IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-N-(1-ethyl-4-hydroxypyrrolidin-3-yl)-N-phenylbenzamide Traditional Name: 4-chloro-N-(1-ethyl-4-hydroxy-pyrrolidin-3-yl)-N-phenyl-benzamide; fumaric acid Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1)O)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CC(C(C1)O)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21ClN2O2.C4H4O4/c1-2-21-12-17(18(23)13-21)22(16-6-4-3-5-7-16)19(24)14-8-10-15(20)11-9-14;5-3(6)1-2-4(7)8/h3-11,17-18,23H,2,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+