(E)-but-2-enedioic acid; 1-[3-(diethylamino)propyl]-3-ethoxy-3-phenyl-indol-2-one; hydrate

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(diethylamino)propyl]-3-ethoxy-3-phenyl-indol-2-one; hydrate Openeye Name: 1-[3-(diethylamino)propyl]-3-ethoxy-3-phenyl-indolin-2-one; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; 1-[3-(diethylamino)propyl]-3-ethoxy-3-phenyl-2-indolone; hydrate IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(diethylamino)propyl]-3-ethoxy-3-phenylindol-2-one; hydrate Traditional Name: 1-[3-(diethylamino)propyl]-3-ethoxy-3-phenyl-oxindole; fumaric acid; hydrate Formula: C27H36N2O7 MolecularWeight: 500.58394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CCN(CC)CCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C23H30N2O2.C4H4O4.H2O/c1-4-24(5-2)17-12-18-25-21-16-11-10-15-20(21)23(22(25)26,27-6-3)19-13-8-7-9-14-19;5-3(6)1-2-4(7)8;/h7-11,13-16H,4-6,12,17-18H2,1-3H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;