2-butyl-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 2-butyl-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-butyl-5-[[1-[(2-chlorophenyl)methyl]-3-indolyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-5-[[1-(2-chlorobenzyl)indol-3-yl]methylene]-2-methyl-1,3-dioxane-4,6-quinone Formula: C25H24ClNO4 MolecularWeight: 437.91536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl)C(=O)O1)C

InChI

InChI=1S/C25H24ClNO4/c1-3-4-13-25(2)30-23(28)20(24(29)31-25)14-18-16-27(22-12-8-6-10-19(18)22)15-17-9-5-7-11-21(17)26/h5-12,14,16H,3-4,13,15H2,1-2H3