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

Systemtic Name: (E)-but-2-enedioic acid; 3-ethoxy-3-phenyl-1-(3-piperidin-1-ylpropyl)indol-2-one; hydrate Openeye Name: 3-ethoxy-3-phenyl-1-[3-(1-piperidyl)propyl]indolin-2-one; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; 3-ethoxy-3-phenyl-1-[3-(1-piperidinyl)propyl]-2-indolone; hydrate IUPAC Name: (E)-but-2-enedioic acid; 3-ethoxy-3-phenyl-1-(3-piperidin-1-ylpropyl)indol-2-one; hydrate Traditional Name: 3-ethoxy-3-phenyl-1-(3-piperidinopropyl)oxindole; fumaric acid; hydrate Formula: C28H36N2O7 MolecularWeight: 512.59464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2N(C1=O)CCCN3CCCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CCOC1(C2=CC=CC=C2N(C1=O)CCCN3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C24H30N2O2.C4H4O4.H2O/c1-2-28-24(20-12-5-3-6-13-20)21-14-7-8-15-22(21)26(23(24)27)19-11-18-25-16-9-4-10-17-25;5-3(6)1-2-4(7)8;/h3,5-8,12-15H,2,4,9-11,16-19H2,1H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;