4-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]hexanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]hexanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxohexyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(2,4-diketo-1H-quinazolin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H29N3O5 MolecularWeight: 415.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CCCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C22H29N3O5/c1-2-3-8-18(19(26)23-13-14-9-11-15(12-10-14)21(28)29)25-20(27)16-6-4-5-7-17(16)24-22(25)30/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,23,26)(H,24,30)(H,28,29)