(E)-but-2-enedioic acid; 4-methoxy-2-[3-(methylamino)-1-phenyl-propoxy]benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 4-methoxy-2-[3-(methylamino)-1-phenyl-propoxy]benzenecarbonitrile Openeye Name: fumaric acid; 4-methoxy-2-[3-(methylamino)-1-phenyl-propoxy]benzonitrile CAS Name: (E)-2-butenedioic acid; 4-methoxy-2-[3-(methylamino)-1-phenylpropoxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-methoxy-2-[3-(methylamino)-1-phenylpropoxy]benzonitrile Traditional Name: fumaric acid; 4-methoxy-2-[3-(methylamino)-1-phenyl-propoxy]benzonitrile Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)OC)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)OC)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2O2.C4H4O4/c1-20-11-10-17(14-6-4-3-5-7-14)22-18-12-16(21-2)9-8-15(18)13-19;5-3(6)1-2-4(7)8/h3-9,12,17,20H,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+