(E)-but-2-enedioic acid; 2-[[1-methyl-5-(2-phenoxyethylimino)pyrrolidin-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-[[1-methyl-5-(2-phenoxyethylimino)pyrrolidin-3-yl]methoxy]benzenecarbonitrile Openeye Name: fumaric acid; 2-[[1-methyl-5-(2-phenoxyethylimino)pyrrolidin-3-yl]methoxy]benzonitrile CAS Name: (E)-2-butenedioic acid; 2-[[1-methyl-5-(2-phenoxyethylimino)-3-pyrrolidinyl]methoxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-[[1-methyl-5-(2-phenoxyethylimino)pyrrolidin-3-yl]methoxy]benzonitrile Traditional Name: fumaric acid; 2-[[1-methyl-5-(2-phenoxyethylimino)pyrrolidin-3-yl]methoxy]benzonitrile Formula: C25H27N3O6 MolecularWeight: 465.49838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1=NCCOC2=CC=CC=C2)COC3=CC=CC=C3C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(CC1=NCCOC2=CC=CC=C2)COC3=CC=CC=C3C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23N3O2.C4H4O4/c1-24-15-17(16-26-20-10-6-5-7-18(20)14-22)13-21(24)23-11-12-25-19-8-3-2-4-9-19;5-3(6)1-2-4(7)8/h2-10,17H,11-13,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+