[6-ethyl-4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-azanylpropanoate

Systemtic Name: [6-ethyl-4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-azanylpropanoate Openeye Name: [6-ethyl-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid [6-ethyl-4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid [6-ethyl-4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H18F3NO5 MolecularWeight: 421.36653

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)OC(=O)C(C)N

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)OC(=O)[C@H](C)N

InChI

InChI=1S/C21H18F3NO5/c1-3-12-9-14-16(10-15(12)30-20(27)11(2)25)29-19(21(22,23)24)18(17(14)26)28-13-7-5-4-6-8-13/h4-11H,3,25H2,1-2H3/t11-/m0/s1