1-[2-[3,5-bis(chloranyl)phenoxy]ethyl]-3-(2-dimethylaminoethyl)-1-(2-methylpropyl)urea; (E)-but-2-enedioic acid

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenoxy]ethyl]-3-(2-dimethylaminoethyl)-1-(2-methylpropyl)urea; (E)-but-2-enedioic acid Openeye Name: 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-isobutyl-urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-(2-methylpropyl)urea IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-(2-methylpropyl)urea Traditional Name: 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-isobutyl-urea; fumaric acid Formula: C21H31Cl2N3O6 MolecularWeight: 492.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCOC1=CC(=CC(=C1)Cl)Cl)C(=O)NCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CN(CCOC1=CC(=CC(=C1)Cl)Cl)C(=O)NCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H27Cl2N3O2.C4H4O4/c1-13(2)12-22(17(23)20-5-6-21(3)4)7-8-24-16-10-14(18)9-15(19)11-16;5-3(6)1-2-4(7)8/h9-11,13H,5-8,12H2,1-4H3,(H,20,23);1-2H,(H,5,6)(H,7,8)/b;2-1+