2-methoxyethyl (4S)-2-azanyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylic acid 2-methoxyethyl ester Formula: C20H20F3NO5 MolecularWeight: 411.37171

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)C(F)(F)F)C(=O)CCC2)N

Isomeric SMILES

COCCOC(=O)C1=C(OC2=C([C@@H]1C3=CC(=CC=C3)C(F)(F)F)C(=O)CCC2)N

InChI

InChI=1S/C20H20F3NO5/c1-27-8-9-28-19(26)17-15(11-4-2-5-12(10-11)20(21,22)23)16-13(25)6-3-7-14(16)29-18(17)24/h2,4-5,10,15H,3,6-9,24H2,1H3/t15-/m0/s1