[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

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