(E)-but-2-enedioic acid; 9-[3-(propan-2-ylamino)pentyl]fluorene-9-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 9-[3-(propan-2-ylamino)pentyl]fluorene-9-carboxamide Openeye Name: fumaric acid; 9-[3-(isopropylamino)pentyl]fluorene-9-carboxamide CAS Name: (E)-2-butenedioic acid; 9-[3-(propan-2-ylamino)pentyl]-9-fluorenecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 9-[3-(propan-2-ylamino)pentyl]fluorene-9-carboxamide Traditional Name: fumaric acid; 9-[3-(isopropylamino)pentyl]fluorene-9-carboxamide Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)N)NC(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)N)NC(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N2O.C4H4O4/c1-4-16(24-15(2)3)13-14-22(21(23)25)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22;5-3(6)1-2-4(7)8/h5-12,15-16,24H,4,13-14H2,1-3H3,(H2,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1+