(E)-but-2-enedioic acid; 1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-propan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-propan-1-ol Openeye Name: fumaric acid; 1-(1H-imidazol-5-yl)-1-(6-methoxy-2-naphthyl)-2,2-dimethyl-propan-1-ol CAS Name: (E)-2-butenedioic acid; 1-(1H-imidazol-5-yl)-1-(6-methoxy-2-naphthalenyl)-2,2-dimethyl-1-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropan-1-ol Traditional Name: fumaric acid; 1-(1H-imidazol-5-yl)-1-(6-methoxy-2-naphthyl)-2,2-dimethyl-propan-1-ol Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(C1=CC2=C(C=C1)C=C(C=C2)OC)(C3=CN=CN3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N2O2.C4H4O4/c1-18(2,3)19(22,17-11-20-12-21-17)15-7-5-14-10-16(23-4)8-6-13(14)9-15;5-3(6)1-2-4(7)8/h5-12,22H,1-4H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+