3-ethoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-indol-2-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-ethoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-indol-2-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-ethoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-indolin-2-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-ethoxy-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-2-indolone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-ethoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenylindol-2-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-ethoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-oxindole; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H28N2O3.C4H4O4/c1-2-28-23(19-9-4-3-5-10-19)20-11-6-7-12-21(20)25(22(23)26)14-8-13-24-15-17-27-18-16-24;5-3(6)1-2-4(7)8/h3-7,9-12H,2,8,13-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-