(E)-but-2-enedioic acid; 3-methoxy-1-(3-morpholin-4-ylpropyl)-3H-indol-2-one; hydrate

Systemtic Name: (E)-but-2-enedioic acid; 3-methoxy-1-(3-morpholin-4-ylpropyl)-3H-indol-2-one; hydrate Openeye Name: fumaric acid; 3-methoxy-1-(3-morpholinopropyl)indolin-2-one; hydrate CAS Name: (E)-2-butenedioic acid; 3-methoxy-1-[3-(4-morpholinyl)propyl]-3H-indol-2-one; hydrate IUPAC Name: (E)-but-2-enedioic acid; 3-methoxy-1-(3-morpholin-4-ylpropyl)-3H-indol-2-one; hydrate Traditional Name: fumaric acid; 3-methoxy-1-(3-morpholinopropyl)oxindole; hydrate Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=CC=C2N(C1=O)CCCN3CCOCC3.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

COC1C2=CC=CC=C2N(C1=O)CCCN3CCOCC3.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C16H22N2O3.C4H4O4.H2O/c1-20-15-13-5-2-3-6-14(13)18(16(15)19)8-4-7-17-9-11-21-12-10-17;5-3(6)1-2-4(7)8;/h2-3,5-6,15H,4,7-12H2,1H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;