(Z)-but-2-enedioate; 3-methyl-1-(3-morpholin-4-ylpropyl)-3-phenyl-indol-2-one; hydrate

Systemtic Name: (Z)-but-2-enedioate; 3-methyl-1-(3-morpholin-4-ylpropyl)-3-phenyl-indol-2-one; hydrate Openeye Name: (Z)-but-2-enedioate; 3-methyl-1-(3-morpholinopropyl)-3-phenyl-indolin-2-one; hydrate CAS Name: (Z)-2-butenedioate; 3-methyl-1-[3-(4-morpholinyl)propyl]-3-phenyl-2-indolone; hydrate IUPAC Name: (Z)-but-2-enedioate; 3-methyl-1-(3-morpholin-4-ylpropyl)-3-phenylindol-2-one; hydrate Traditional Name: 3-methyl-1-(3-morpholinopropyl)-3-phenyl-oxindole maleate hydrate Formula: C26H30N2O7-2 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=O)CCCN3CCOCC3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)[O-].O

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=O)CCCN3CCOCC3)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)[O-].O

InChI

InChI=1S/C22H26N2O2.C4H4O4.H2O/c1-22(18-8-3-2-4-9-18)19-10-5-6-11-20(19)24(21(22)25)13-7-12-23-14-16-26-17-15-23;5-3(6)1-2-4(7)8;/h2-6,8-11H,7,12-17H2,1H3;1-2H,(H,5,6)(H,7,8);1H2/p-2/b;2-1-;