(E)-but-2-enedioic acid; 6-[(1S)-1-(1H-imidazol-5-yl)-1-oxidanyl-propyl]-N-methyl-naphthalene-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 6-[(1S)-1-(1H-imidazol-5-yl)-1-oxidanyl-propyl]-N-methyl-naphthalene-2-carboxamide Openeye Name: fumaric acid; 6-[(1S)-1-hydroxy-1-(1H-imidazol-5-yl)propyl]-N-methyl-naphthalene-2-carboxamide CAS Name: (E)-2-butenedioic acid; 6-[(1S)-1-hydroxy-1-(1H-imidazol-5-yl)propyl]-N-methyl-2-naphthalenecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 6-[(1S)-1-hydroxy-1-(1H-imidazol-5-yl)propyl]-N-methylnaphthalene-2-carboxamide Traditional Name: fumaric acid; 6-[(1S)-1-hydroxy-1-(1H-imidazol-5-yl)propyl]-N-methyl-2-naphthamide Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)C=C(C=C2)C(=O)NC)(C3=CN=CN3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC[C@](C1=CC2=C(C=C1)C=C(C=C2)C(=O)NC)(C3=CN=CN3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19N3O2.C4H4O4/c1-3-18(23,16-10-20-11-21-16)15-7-6-12-8-14(17(22)19-2)5-4-13(12)9-15;5-3(6)1-2-4(7)8/h4-11,23H,3H2,1-2H3,(H,19,22)(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-;/m0./s1