(E)-but-2-enedioic acid; N-[2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanamide Openeye Name: fumaric acid; N-[4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl]acetamide CAS Name: (E)-2-butenedioic acid; N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl]acetamide IUPAC Name: (E)-but-2-enedioic acid; N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl]acetamide Traditional Name: fumaric acid; N-[4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl]acetamide Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC(=O)C)C)C)OCC(CNC(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1NC(=O)C)C)C)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H28N2O3.C4H4O4/c1-10(2)18-8-15(21)9-22-16-7-11(3)17(19-14(6)20)13(5)12(16)4;5-3(6)1-2-4(7)8/h7,10,15,18,21H,8-9H2,1-6H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+