(E)-but-2-enedioic acid; 4-chloranyl-2-[1-(methylamino)heptan-3-yloxy]benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-2-[1-(methylamino)heptan-3-yloxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[1-[2-(methylamino)ethyl]pentoxy]benzonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-2-[1-(methylamino)heptan-3-yloxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-2-[1-(methylamino)heptan-3-yloxy]benzonitrile Traditional Name: 4-chloro-2-[1-[2-(methylamino)ethyl]pentoxy]benzonitrile; fumaric acid Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCNC)OC1=C(C=CC(=C1)Cl)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCNC)OC1=C(C=CC(=C1)Cl)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21ClN2O.C4H4O4/c1-3-4-5-14(8-9-18-2)19-15-10-13(16)7-6-12(15)11-17;5-3(6)1-2-4(7)8/h6-7,10,14,18H,3-5,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+