(E)-but-2-enedioic acid; 1'-methylspiro[adamantane-2,3'-pyrrolidine]

Systemtic Name: (E)-but-2-enedioic acid; 1'-methylspiro[adamantane-2,3'-pyrrolidine] Openeye Name: fumaric acid; 1'-methylspiro[adamantane-2,3'-pyrrolidine] CAS Name: (E)-2-butenedioic acid; 1'-methylspiro[adamantane-2,3'-pyrrolidine] IUPAC Name: (E)-but-2-enedioic acid; 1'-methylspiro[adamantane-2,3'-pyrrolidine] Traditional Name: fumaric acid; 1'-methylspiro[adamantane-2,3'-pyrrolidine] Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2(C1)C3CC4CC(C3)CC2C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2(C1)C3CC4CC(C3)CC2C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H23N.C4H4O4/c1-15-3-2-14(9-15)12-5-10-4-11(7-12)8-13(14)6-10;5-3(6)1-2-4(7)8/h10-13H,2-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+