(E)-but-2-enedioic acid; 2-cyano-N-(4-methoxyphenyl)-2-(propylamino)propanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-cyano-N-(4-methoxyphenyl)-2-(propylamino)propanamide Openeye Name: 2-cyano-N-(4-methoxyphenyl)-2-(propylamino)propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyano-N-(4-methoxyphenyl)-2-(propylamino)propanamide IUPAC Name: (E)-but-2-enedioic acid; 2-cyano-N-(4-methoxyphenyl)-2-(propylamino)propanamide Traditional Name: 2-cyano-N-(4-methoxyphenyl)-2-(propylamino)propionamide; fumaric acid Formula: C18H23N3O6 MolecularWeight: 377.39172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(C#N)C(=O)NC1=CC=C(C=C1)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC(C)(C#N)C(=O)NC1=CC=C(C=C1)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H19N3O2.C4H4O4/c1-4-9-16-14(2,10-15)13(18)17-11-5-7-12(19-3)8-6-11;5-3(6)1-2-4(7)8/h5-8,16H,4,9H2,1-3H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+