(E)-but-2-enedioic acid; 5-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole Openeye Name: fumaric acid; 5-(2-naphthylmethyl)-4,5-dihydro-1H-imidazole CAS Name: (E)-2-butenedioic acid; 5-(2-naphthalenylmethyl)-4,5-dihydro-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole Traditional Name: fumaric acid; 4-(2-naphthylmethyl)-2-imidazoline Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC=N1)CC2=CC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(NC=N1)CC2=CC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N2.C4H4O4/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14;5-3(6)1-2-4(7)8/h1-7,10,14H,8-9H2,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+