(E)-but-2-enedioic acid; 7-cycloheptyl-3-phenyl-3,7-diazaspiro[3.5]nonane

Systemtic Name: (E)-but-2-enedioic acid; 7-cycloheptyl-3-phenyl-3,7-diazaspiro[3.5]nonane Openeye Name: 7-cycloheptyl-3-phenyl-3,7-diazaspiro[3.5]nonane; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-cycloheptyl-3-phenyl-3,7-diazaspiro[3.5]nonane IUPAC Name: (E)-but-2-enedioic acid; 7-cycloheptyl-3-phenyl-3,7-diazaspiro[3.5]nonane Traditional Name: 7-cycloheptyl-3-phenyl-3,7-diazaspiro[3.5]nonane; fumaric acid Formula: C24H34N2O4 MolecularWeight: 414.53776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCC3(CC2)CCN3C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)N2CCC3(CC2)CCN3C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H30N2.C4H4O4/c1-2-5-9-18(8-4-1)21-15-12-20(13-16-21)14-17-22(20)19-10-6-3-7-11-19;5-3(6)1-2-4(7)8/h3,6-7,10-11,18H,1-2,4-5,8-9,12-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+