(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methylpyridin-2-yl)aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methylpyridin-2-yl)aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridyl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methylpyridin-2-yl)aniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-[2-(3-methyl-2-pyridyl)phenyl]amine Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=CC=CC=C2NCC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C2=CC=CC=C2NCC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N4.C4H4O4/c1-12-5-4-8-19-16(12)13-6-2-3-7-14(13)20-11-15-17-9-10-18-15;5-3(6)1-2-4(7)8/h2-8,20H,9-11H2,1H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+