(E)-but-2-enedioic acid; 2-[2-methoxy-3-(methylaminomethyl)phenoxy]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-methoxy-3-(methylaminomethyl)phenoxy]-6-methyl-pyridine-3-carbonitrile Openeye Name: fumaric acid; 2-[2-methoxy-3-(methylaminomethyl)phenoxy]-6-methyl-pyridine-3-carbonitrile CAS Name: (E)-2-butenedioic acid; 2-[2-methoxy-3-(methylaminomethyl)phenoxy]-6-methyl-3-pyridinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-[2-methoxy-3-(methylaminomethyl)phenoxy]-6-methylpyridine-3-carbonitrile Traditional Name: fumaric acid; 2-[2-methoxy-3-(methylaminomethyl)phenoxy]-6-methyl-nicotinonitrile Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)OC2=CC=CC(=C2OC)CNC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)OC2=CC=CC(=C2OC)CNC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3O2.C4H4O4/c1-11-7-8-12(9-17)16(19-11)21-14-6-4-5-13(10-18-2)15(14)20-3;5-3(6)1-2-4(7)8/h4-8,18H,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+