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

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methylphenyl)aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(o-tolyl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methylphenyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methylphenyl)aniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-[2-(o-tolyl)phenyl]amine Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2NCC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2NCC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3.C4H4O4/c1-13-6-2-3-7-14(13)15-8-4-5-9-16(15)20-12-17-18-10-11-19-17;5-3(6)1-2-4(7)8/h2-9,20H,10-12H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+