(E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-yl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]

Systemtic Name: (E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-yl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] Openeye Name: fumaric acid; 7-isobutyl-3-isopropyl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] CAS Name: (E)-2-butenedioic acid; 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] IUPAC Name: (E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] Traditional Name: fumaric acid; 7-isobutyl-3-isopropyl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane] Formula: C27H44N2O8 MolecularWeight: 524.64686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2CN(CC(C1)C23CCCCC3)C(C)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CC2C3(C(C1)CN(C2)C(C)C)CCCCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H36N2.2C4H4O4/c1-15(2)10-20-11-17-13-21(16(3)4)14-18(12-20)19(17)8-6-5-7-9-19;2*5-3(6)1-2-4(7)8/h15-18H,5-14H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+