1,3-bis(2,6-dimethylphenyl)-4-methyl-imidazolidin-2-imine; (E)-but-2-enedioic acid; hydrate

Systemtic Name: 1,3-bis(2,6-dimethylphenyl)-4-methyl-imidazolidin-2-imine; (E)-but-2-enedioic acid; hydrate Openeye Name: 1,3-bis(2,6-dimethylphenyl)-4-methyl-imidazolidin-2-imine; fumaric acid; hydrate CAS Name: 1,3-bis(2,6-dimethylphenyl)-4-methyl-2-imidazolidinimine; (E)-2-butenedioic acid; hydrate IUPAC Name: 1,3-bis(2,6-dimethylphenyl)-4-methylimidazolidin-2-imine; (E)-but-2-enedioic acid; hydrate Traditional Name: [1,3-bis(2,6-dimethylphenyl)-4-methyl-imidazolidin-2-ylidene]amine; fumaric acid; hydrate Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=N)N1C2=C(C=CC=C2C)C)C3=C(C=CC=C3C)C.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CC1CN(C(=N)N1C2=C(C=CC=C2C)C)C3=C(C=CC=C3C)C.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C20H25N3.C4H4O4.H2O/c1-13-8-6-9-14(2)18(13)22-12-17(5)23(20(22)21)19-15(3)10-7-11-16(19)4;5-3(6)1-2-4(7)8;/h6-11,17,21H,12H2,1-5H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;