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

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(dimethylamino)propyl]-3-phenyl-3H-indol-2-one; hydrate Openeye Name: 1-[3-(dimethylamino)propyl]-3-phenyl-indolin-2-one; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; 1-[3-(dimethylamino)propyl]-3-phenyl-3H-indol-2-one; hydrate IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(dimethylamino)propyl]-3-phenyl-3H-indol-2-one; hydrate Traditional Name: 1-[3-(dimethylamino)propyl]-3-phenyl-oxindole; fumaric acid; hydrate Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O.C4H4O4.H2O/c1-20(2)13-8-14-21-17-12-7-6-11-16(17)18(19(21)22)15-9-4-3-5-10-15;5-3(6)1-2-4(7)8;/h3-7,9-12,18H,8,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;