(E)-but-2-enedioic acid; 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenyl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenyl-urea Openeye Name: 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenyl-urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-butyl-1-(1-ethyl-3-pyrrolidinyl)-1-phenylurea IUPAC Name: (E)-but-2-enedioic acid; 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenylurea Traditional Name: 3-butyl-1-(1-ethylpyrrolidin-3-yl)-1-phenyl-urea; fumaric acid Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1CCN(C1)CC)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNC(=O)N(C1CCN(C1)CC)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H27N3O.C4H4O4/c1-3-5-12-18-17(21)20(15-9-7-6-8-10-15)16-11-13-19(4-2)14-16;5-3(6)1-2-4(7)8/h6-10,16H,3-5,11-14H2,1-2H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+