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

Systemtic Name: (E)-but-2-enedioic acid; 3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea Openeye Name: 3-butyl-1-(1-isopropylpyrrolidin-3-yl)-1-phenyl-urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-butyl-1-phenyl-1-(1-propan-2-yl-3-pyrrolidinyl)urea IUPAC Name: (E)-but-2-enedioic acid; 3-butyl-1-phenyl-1-(1-propan-2-ylpyrrolidin-3-yl)urea Traditional Name: 3-butyl-1-(1-isopropylpyrrolidin-3-yl)-1-phenyl-urea; fumaric acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O.C4H4O4/c1-4-5-12-19-18(22)21(16-9-7-6-8-10-16)17-11-13-20(14-17)15(2)3;5-3(6)1-2-4(7)8/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+