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

Systemtic Name: 3-methoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-indol-2-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 3-methoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-indolin-2-one CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 3-methoxy-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-2-indolone IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 3-methoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenylindol-2-one Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 3-methoxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-oxindole Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C22H26N2O3.C4H4O4/c1-26-22(18-8-3-2-4-9-18)19-10-5-6-11-20(19)24(21(22)25)13-7-12-23-14-16-27-17-15-23;5-3(6)1-2-4(7)8/h2-6,8-11H,7,12-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+