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

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-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-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C20H24ClNO5 MolecularWeight: 393.86126

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO5/c1-3-5-6-13(4-2)11-22-19(24)12-26-20(25)18-10-16(23)15-9-14(21)7-8-17(15)27-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1