(E)-but-2-enedioic acid; N'-(2-phenylphenyl)morpholine-4-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; N'-(2-phenylphenyl)morpholine-4-carboximidamide Openeye Name: fumaric acid; N'-(2-phenylphenyl)morpholine-4-carboxamidine CAS Name: (E)-2-butenedioic acid; N'-(2-phenylphenyl)-4-morpholinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; N'-(2-phenylphenyl)morpholine-4-carboximidamide Traditional Name: fumaric acid; N'-(2-phenylphenyl)morpholine-4-carboxamidine Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=NC2=CC=CC=C2C3=CC=CC=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C(=NC2=CC=CC=C2C3=CC=CC=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3O.C4H4O4/c18-17(20-10-12-21-13-11-20)19-16-9-5-4-8-15(16)14-6-2-1-3-7-14;5-3(6)1-2-4(7)8/h1-9H,10-13H2,(H2,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+