3-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxo-butanoic acid CAS Name: 3-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxobutanoic acid IUPAC Name: 3-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-ethoxy-3-ethoxycarbonyl-4-oxobutanoic acid Traditional Name: 3-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]-3-carbethoxy-4-ethoxy-4-keto-butyric acid Formula: C17H19ClF3NO6 MolecularWeight: 425.78407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)Cl)N)C(F)(F)F)(CC(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)Cl)N)C(F)(F)F)(CC(=O)O)C(=O)OCC

InChI

InChI=1S/C17H19ClF3NO6/c1-3-27-14(25)16(8-12(23)24,15(26)28-4-2)7-9-5-10(17(19,20)21)13(22)11(18)6-9/h5-6H,3-4,7-8,22H2,1-2H3,(H,23,24)