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

Systemtic Name: (E)-but-2-enedioic acid; 3-ethoxy-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one; hydrate Openeye Name: 3-ethoxy-3-phenyl-1-[2-(1-piperidyl)ethyl]indolin-2-one; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; 3-ethoxy-3-phenyl-1-[2-(1-piperidinyl)ethyl]-2-indolone; hydrate IUPAC Name: (E)-but-2-enedioic acid; 3-ethoxy-3-phenyl-1-(2-piperidin-1-ylethyl)indol-2-one; hydrate Traditional Name: 3-ethoxy-3-phenyl-1-(2-piperidinoethyl)oxindole; fumaric acid; hydrate Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2N(C1=O)CCN3CCCCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CCOC1(C2=CC=CC=C2N(C1=O)CCN3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C23H28N2O2.C4H4O4.H2O/c1-2-27-23(19-11-5-3-6-12-19)20-13-7-8-14-21(20)25(22(23)26)18-17-24-15-9-4-10-16-24;5-3(6)1-2-4(7)8;/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;