(E)-but-2-enedioic acid; 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenyl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenyl-urea Openeye Name: 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenyl-urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(1-cyclohexyl-3-pyrrolidinyl)-1,1-diphenylurea IUPAC Name: (E)-but-2-enedioic acid; 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea Traditional Name: 3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenyl-urea; fumaric acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCC(C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H29N3O.C4H4O4/c27-23(24-19-16-17-25(18-19)20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22;5-3(6)1-2-4(7)8/h2-3,6-9,12-15,19-20H,1,4-5,10-11,16-18H2,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+