(E)-but-2-enedioic acid; 8-cyclononyl-1-methoxy-4-phenyl-4,8-diazaspiro[4.5]decane

Systemtic Name: (E)-but-2-enedioic acid; 8-cyclononyl-1-methoxy-4-phenyl-4,8-diazaspiro[4.5]decane Openeye Name: 8-cyclononyl-1-methoxy-4-phenyl-4,8-diazaspiro[4.5]decane; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-cyclononyl-1-methoxy-4-phenyl-4,8-diazaspiro[4.5]decane IUPAC Name: (E)-but-2-enedioic acid; 8-cyclononyl-1-methoxy-4-phenyl-4,8-diazaspiro[4.5]decane Traditional Name: 8-cyclononyl-1-methoxy-4-phenyl-4,8-diazaspiro[4.5]decane; fumaric acid Formula: C28H42N2O5 MolecularWeight: 486.64348

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(C12CCN(CC2)C3CCCCCCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1CCN(C12CCN(CC2)C3CCCCCCCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H38N2O.C4H4O4/c1-27-23-15-18-26(22-13-9-6-10-14-22)24(23)16-19-25(20-17-24)21-11-7-4-2-3-5-8-12-21;5-3(6)1-2-4(7)8/h6,9-10,13-14,21,23H,2-5,7-8,11-12,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+