(E)-but-2-enedioic acid; 2-cyano-N-methyl-N-phenyl-2-(propylamino)propanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-cyano-N-methyl-N-phenyl-2-(propylamino)propanamide Openeye Name: 2-cyano-N-methyl-N-phenyl-2-(propylamino)propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyano-N-methyl-N-phenyl-2-(propylamino)propanamide IUPAC Name: (E)-but-2-enedioic acid; 2-cyano-N-methyl-N-phenyl-2-(propylamino)propanamide Traditional Name: 2-cyano-N-methyl-N-phenyl-2-(propylamino)propionamide; fumaric acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O.C4H4O4/c1-4-10-16-14(2,11-15)13(18)17(3)12-8-6-5-7-9-12;5-3(6)1-2-4(7)8/h5-9,16H,4,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+