(E)-but-2-enedioic acid; 3-methyl-1-(1-phenethylpyrrolidin-3-yl)-1-phenyl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-1-(1-phenethylpyrrolidin-3-yl)-1-phenyl-urea Openeye Name: fumaric acid; 3-methyl-1-(1-phenethylpyrrolidin-3-yl)-1-phenyl-urea CAS Name: (E)-2-butenedioic acid; 3-methyl-1-(1-phenethyl-3-pyrrolidinyl)-1-phenylurea IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-1-(1-phenethylpyrrolidin-3-yl)-1-phenylurea Traditional Name: fumaric acid; 3-methyl-1-(1-phenethylpyrrolidin-3-yl)-1-phenyl-urea Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25N3O.C4H4O4/c1-21-20(24)23(18-10-6-3-7-11-18)19-13-15-22(16-19)14-12-17-8-4-2-5-9-17;5-3(6)1-2-4(7)8/h2-11,19H,12-16H2,1H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1+