(N,N'-dicyclohexylcarbamimidoyl) 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) 2-oxidanylidenechromene-3-carboxylate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid (N,N'-dicyclohexylamidino) ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H28N2O4/c26-21-19(15-16-9-7-8-14-20(16)28-21)22(27)29-23(24-17-10-3-1-4-11-17)25-18-12-5-2-6-13-18/h7-9,14-15,17-18H,1-6,10-13H2,(H,24,25)