[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-4-methyl-pentanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-4-methyl-pentanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-4-methyl-pentanoate CAS Name: 2-amino-4-methylpentanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-4-methylpentanoate Traditional Name: 2-amino-4-methyl-valeric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C22H20F3NO5 MolecularWeight: 435.39311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)N

InChI

InChI=1S/C22H20F3NO5/c1-12(2)10-16(26)21(28)30-14-8-9-15-17(11-14)31-20(22(23,24)25)19(18(15)27)29-13-6-4-3-5-7-13/h3-9,11-12,16H,10,26H2,1-2H3