2,2-dimethyl-5-[[3-[(phenylmethyl)amino]propylamino]methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[[3-[(phenylmethyl)amino]propylamino]methylidene]-1,3-dioxane-4,6-dione Openeye Name: 5-[[3-(benzylamino)propylamino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[[3-[(phenylmethyl)amino]propylamino]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 5-[[3-(benzylamino)propylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[3-(benzylamino)propylamino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CNCCCNCC2=CC=CC=C2)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CNCCCNCC2=CC=CC=C2)C(=O)O1)C

InChI

InChI=1S/C17H22N2O4/c1-17(2)22-15(20)14(16(21)23-17)12-19-10-6-9-18-11-13-7-4-3-5-8-13/h3-5,7-8,12,18-19H,6,9-11H2,1-2H3