[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C

InChI

InChI=1S/C21H27NO5/c1-4-6-7-15(5-2)12-22-20(24)13-26-21(25)19-11-17(23)16-10-14(3)8-9-18(16)27-19/h8-11,15H,4-7,12-13H2,1-3H3,(H,22,24)/t15-/m0/s1