4-[[1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(1-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid IUPAC Name: 4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid Traditional Name: 4-[(1-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O

InChI

InChI=1S/C18H18N2O5/c21-15-14(10-11-6-8-12(9-7-11)17(23)24)16(22)20(18(25)19-15)13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24)(H,19,21,25)