3-ethoxy-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)indol-2-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-ethoxy-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)indol-2-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-ethoxy-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)indolin-2-one; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-ethoxy-3-phenyl-1-[2-(1-piperidin-1-iumyl)ethyl]-2-indolone; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-ethoxy-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)indol-2-one; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-ethoxy-3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)oxindole; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2N(C1=O)CC[NH+]3CCCCC3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC1(C2=CC=CC=C2N(C1=O)CC[NH+]3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H28N2O2.C4H4O4/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)/b;2-1+