(E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-ethoxy-3-phenyl-indol-2-one; hydrate

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-ethoxy-3-phenyl-indol-2-one; hydrate Openeye Name: 1-(2-diethylaminoethyl)-3-ethoxy-3-phenyl-indolin-2-one; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; 1-(2-diethylaminoethyl)-3-ethoxy-3-phenyl-2-indolone; hydrate IUPAC Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-ethoxy-3-phenylindol-2-one; hydrate Traditional Name: 1-(2-diethylaminoethyl)-3-ethoxy-3-phenyl-oxindole; fumaric acid; hydrate Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C22H28N2O2.C4H4O4.H2O/c1-4-23(5-2)16-17-24-20-15-11-10-14-19(20)22(21(24)25,26-6-3)18-12-8-7-9-13-18;5-3(6)1-2-4(7)8;/h7-15H,4-6,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;