[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-hexoxybenzoate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-hexoxybenzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C22H23ClF3NO4 MolecularWeight: 457.87053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C22H23ClF3NO4/c1-2-3-4-5-12-30-17-9-6-15(7-10-17)21(29)31-14-20(28)27-19-13-16(22(24,25)26)8-11-18(19)23/h6-11,13H,2-5,12,14H2,1H3,(H,27,28)