(E)-but-2-enedioic acid; 8-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 8-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one Openeye Name: 8-[[5-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-[[5-(4-fluorophenyl)-3-oxolanyl]methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one IUPAC Name: (E)-but-2-enedioic acid; 8-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one Traditional Name: 8-[[5-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; fumaric acid Formula: C28H32FN3O6 MolecularWeight: 525.568583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4CC(OC4)C5=CC=C(C=C5)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4CC(OC4)C5=CC=C(C=C5)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H28FN3O2.C4H4O4/c25-20-8-6-19(7-9-20)22-14-18(16-30-22)15-27-12-10-24(11-13-27)23(29)26-17-28(24)21-4-2-1-3-5-21;5-3(6)1-2-4(7)8/h1-9,18,22H,10-17H2,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1+