(E)-but-2-enedioic acid; 2-[3-[3-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-[3-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Openeye Name: 2-[3-[3-[(4-fluorophenoxy)methyl]-1-piperidyl]propylamino]pyrimidine-4-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[3-[3-[(4-fluorophenoxy)methyl]-1-piperidinyl]propylamino]-4-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Traditional Name: 2-[3-[3-[(4-fluorophenoxy)methyl]piperidino]propylamino]pyrimidine-4-carboxamide; fumaric acid Formula: C24H30FN5O6 MolecularWeight: 503.523303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCNC2=NC=CC(=N2)C(=O)N)COC3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCCNC2=NC=CC(=N2)C(=O)N)COC3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26FN5O2.C4H4O4/c21-16-4-6-17(7-5-16)28-14-15-3-1-11-26(13-15)12-2-9-23-20-24-10-8-18(25-20)19(22)27;5-3(6)1-2-4(7)8/h4-8,10,15H,1-3,9,11-14H2,(H2,22,27)(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+