(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrrol-2-yl)aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrrol-2-yl)aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrrol-2-yl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-2-pyrrolyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrrol-2-yl)aniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-[2-(1-methylpyrrol-2-yl)phenyl]amine Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=CC=CC=C2NCC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=CC=C1C2=CC=CC=C2NCC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18N4.C4H4O4/c1-19-10-4-7-14(19)12-5-2-3-6-13(12)18-11-15-16-8-9-17-15;5-3(6)1-2-4(7)8/h2-7,10,18H,8-9,11H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+