[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C20H25NO5 MolecularWeight: 359.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2O1

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2O1

InChI

InChI=1S/C20H25NO5/c1-3-5-8-14(4-2)12-21-19(23)13-25-20(24)18-11-16(22)15-9-6-7-10-17(15)26-18/h6-7,9-11,14H,3-5,8,12-13H2,1-2H3,(H,21,23)/t14-/m0/s1