4-(2-azanyl-2-oxidanyl-4-phenyl-hexoxy)benzimidazol-2-one; (E)-but-2-enedioic acid

Systemtic Name: 4-(2-azanyl-2-oxidanyl-4-phenyl-hexoxy)benzimidazol-2-one; (E)-but-2-enedioic acid Openeye Name: 4-(2-amino-2-hydroxy-4-phenyl-hexoxy)benzimidazol-2-one; fumaric acid CAS Name: 4-(2-amino-2-hydroxy-4-phenylhexoxy)-2-benzimidazolone; (E)-2-butenedioic acid IUPAC Name: 4-(2-amino-2-hydroxy-4-phenylhexoxy)benzimidazol-2-one; (E)-but-2-enedioic acid Traditional Name: 4-(2-amino-2-hydroxy-4-phenyl-hexoxy)benzimidazol-2-one; fumaric acid Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(COC1=CC=CC2=NC(=O)N=C21)(N)O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CC(COC1=CC=CC2=NC(=O)N=C21)(N)O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21N3O3.C4H4O4/c1-2-13(14-7-4-3-5-8-14)11-19(20,24)12-25-16-10-6-9-15-17(16)22-18(23)21-15;5-3(6)1-2-4(7)8/h3-10,13,24H,2,11-12,20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+