2,2-dimethyl-5-[[1-(phenylmethyl)indol-3-yl]methyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[[1-(phenylmethyl)indol-3-yl]methyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[(1-benzylindol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[[1-(phenylmethyl)-3-indolyl]methyl]-1,3-dioxane-4,6-dione IUPAC Name: 5-[(1-benzylindol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(1-benzylindol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H21NO4/c1-22(2)26-20(24)18(21(25)27-22)12-16-14-23(13-15-8-4-3-5-9-15)19-11-7-6-10-17(16)19/h3-11,14,18H,12-13H2,1-2H3