(E)-but-2-enedioic acid; 3-methoxy-1-(2-morpholin-4-ylethyl)-3-phenyl-indol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-methoxy-1-(2-morpholin-4-ylethyl)-3-phenyl-indol-2-one Openeye Name: fumaric acid; 3-methoxy-1-(2-morpholinoethyl)-3-phenyl-indolin-2-one CAS Name: (E)-2-butenedioic acid; 3-methoxy-1-[2-(4-morpholinyl)ethyl]-3-phenyl-2-indolone IUPAC Name: (E)-but-2-enedioic acid; 3-methoxy-1-(2-morpholin-4-ylethyl)-3-phenylindol-2-one Traditional Name: fumaric acid; 3-methoxy-1-(2-morpholinoethyl)-3-phenyl-oxindole Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC=C2N(C1=O)CCN3CCOCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1(C2=CC=CC=C2N(C1=O)CCN3CCOCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24N2O3.C4H4O4/c1-25-21(17-7-3-2-4-8-17)18-9-5-6-10-19(18)23(20(21)24)12-11-22-13-15-26-16-14-22;5-3(6)1-2-4(7)8/h2-10H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+